SCHEMBL7380423

SCHEMBL7380423

NC(=O)CC(O)n1nnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
APAF1 O14727 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 6/20 0.42
MGAM O43451 5/20 0.42
AMY1A P0DUB6 5/20 0.42
SI P14410 5/20 0.42
MGAM2 Q2M2H8 5/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
THPO P40225 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5849673 0.78 EGLN3 (0.56) POLBAPAF1EGLN3MAPTKDM4E
SCHEMBL4227322 0.78 SLC9A1 (0.51) POLBAPAF1MAPTALDH1A1MAPK1
SCHEMBL2069140 0.75 HSD17B10 (0.50) POLBAPAF1EGLN3MAPTKDM4E
SCHEMBL22032189 0.75 SLC9A1 (0.50) POLBAPAF1MAPTALDH1A1MAPK1
SCHEMBL1311735 0.75 POLB (0.46) POLBAPAF1EGLN3MAPTKDM4E
SCHEMBL4865115 0.75 MAPT (0.45) POLBAPAF1EGLN3MAPTKDM4E
SCHEMBL1312900 0.75 POLB (0.46) POLBAPAF1EGLN3MAPTKDM4E
SCHEMBL1312663 0.75 POLB (0.46) POLBAPAF1EGLN3MAPTKDM4E
SCHEMBL9091544 0.75 POLB (0.55) POLBAPAF1EGLN3MAPTGAA
SCHEMBL9091462 0.74 POLB (0.51) POLBAPAF1EGLN3GAAMGAM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed