QuartataWeb 1.0

15 known interactions (drugs) of input target (MMP8): Neutrophil collagenase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Experimental	SmallMoleculeDrug	DB08028	BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE	ClC1=CC=C(C=C1)C1=NN\C(SC1)=N\CCC=C
2	Experimental	SmallMoleculeDrug	DB03622	2-Hydroxy-5-[4-(2-Hydroxy-Ethyl)-Piperidin-1-Yl]-5-Phenyl-1h-Pyrimidine-4,6-Dione	OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)C1=CC=CC=C1
3	Experimental	SmallMoleculeDrug	DB07397	(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide	[H][C@@]1(CC(N)=O)CCCC2=C1C1=C(S2)N=C(NC1=O)C(=O)NCC1=CC=C2OCC(=O)NC2=C1
4	Experimental	SmallMoleculeDrug	DB08476	3-AMINO-AZACYCLOTRIDECAN-2-ONE	[H][C@]1(N)CCCCCCCCCCNC1=O
5	Experimental	SmallMoleculeDrug	DB03636	Glycinamid	NCC(N)=O
6	Experimental	SmallMoleculeDrug	DB02326	1-Hydroxyamine-2-Isobutylmalonic Acid	CC(C)C[C@@H](C(O)=O)C(=O)NO
7	Experimental	SmallMoleculeDrug	DB03207	2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid	[H][C@@]1(CC2=C(CN1S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C=CC=C2)C(O)=O
8	Experimental	SmallMoleculeDrug	DB07772	(1R)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid	COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O
9	Experimental	SmallMoleculeDrug	DB08403	METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID	[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)NC
10	Experimental	SmallMoleculeDrug	DB02953	2-Thiomethyl-3-Phenylpropanoic Acid	[H][C@](CS)(CC1=CC=CC=C1)C(O)=O
11	Experimental	SmallMoleculeDrug	DB06971	N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA	CN(CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)C(=O)NO
12	Experimental	SmallMoleculeDrug	DB07900	3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE	[H][C@@](O)(C(=O)NO)[C@@]([H])(CC(C)C)C=O
13	Experimental	SmallMoleculeDrug	DB07713	(1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid	COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O
14	Experimental	SmallMoleculeDrug	DB03880	Batimastat	[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC
15	Approved; Investigational	SmallMoleculeDrug	DB00786	Marimastat	CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C

20 predicted interactions (drugs) of input target (MMP8): Neutrophil collagenase

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Approved; Nutraceutical	SmallMoleculeDrug	DB00157	NADH	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O	41.0%
2	Experimental	SmallMoleculeDrug	DB08489	N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE	[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1	30.0%
3	Approved	SmallMoleculeDrug	DB00201	Caffeine	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	29.1%
4	Approved; Withdrawn	SmallMoleculeDrug	DB11148	Butamben	CCCCOC(=O)C1=CC=C(N)C=C1	26.3%
5	Experimental	SmallMoleculeDrug	DB03439	4,6-dideoxy-4-amino-alpha-D-glucose	[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N	25.4%
6	Approved; Investigational	SmallMoleculeDrug	DB11633	Isavuconazole	[H][C@](C)(C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1	24.5%
7	Experimental	SmallMoleculeDrug	DB08170	(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE	[H][C@]1(N(CCC2=CC(O)=C(OC)C=C12)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO	24.2%
8	Experimental; Investigational	SmallMoleculeDrug	DB04216	Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1	23.2%
9	Withdrawn	SmallMoleculeDrug	DB07931	Hexestrol	[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1	22.2%
10	Approved; Nutraceutical; Vet approved	SmallMoleculeDrug	DB00162	Vitamin A	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	22.1%
11	Approved; Investigational	SmallMoleculeDrug	DB00234	Reboxetine	[H][C@@](OC1=CC=CC=C1OCC)(C1=CC=CC=C1)[C@@]1([H])CNCCO1	21.4%
12	Approved; Nutraceutical	SmallMoleculeDrug	DB00134	Methionine	CSCC[C@H](N)C(O)=O	21.4%
13	Approved; Investigational	SmallMoleculeDrug	DB03088	Pidolic Acid	OC(=O)[C@@H]1CCC(=O)N1	21.4%
14	Approved	SmallMoleculeDrug	DB09283	Trapidil	CCN(CC)C1=CC(C)=NC2=NC=NN12	21.3%
15	Experimental	SmallMoleculeDrug	DB07768	(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE	[H][C@@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C	20.9%
16	Experimental	SmallMoleculeDrug	DB07821	(1R)-1,2,2-trimethylpropyl (R)-methylphosphinate	[H][C@](C)(O[P@]([H])(C)=O)C(C)(C)C	20.5%
17	Experimental	SmallMoleculeDrug	DB08493	5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID	[H][C@@](CC(C)C)(CC(O)=O)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1	20.2%
18	Approved; Investigational	BiotechDrug	DB05829	Parathyroid hormone	NA	19.7%
19	Approved	SmallMoleculeDrug	DB00381	Amlodipine	CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC	19.5%
20	Approved	SmallMoleculeDrug	DB00898	Ethanol	CCO	18.9%