SCHEMBL7378147

SCHEMBL7378147

Cc1cc(C)c(S(=O)(=O)N(NC(=O)c2cccc(NC=NN)c2)[C@@H](Cc2ccccc2)C(=O)O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.39
ITGAV P06756 16/20 0.39
ALDH1A1 P00352 1/20 0.36
ITGA2B P08514 3/20 0.36
ITGB1 P05556 2/20 0.36
ITGA5 P08648 2/20 0.36
ITGB5 P18084 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KEAP1 Q14145 2/20 0.36
ALB P02768 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL7375584 0.88 ALDH1A1 (0.41) ITGB3ITGAVALDH1A1ITGA2BITGB1
SCHEMBL7375578 0.88 ALDH1A1 (0.41) ITGB3ITGAVALDH1A1ITGA2BITGB1
SCHEMBL7380612 0.87 ITGB3 (0.43) ITGB3ITGAVITGA2BLMNAMAPT
SCHEMBL7376071 0.87 ITGB3 (0.39) ITGB3ITGAVALDH1A1ITGA2BITGB1
SCHEMBL7376076 0.87 ITGB3 (0.39) ITGB3ITGAVALDH1A1ITGA2BITGB1
SCHEMBL7379503 0.81 ALDH1A1 (0.44) ALDH1A1LMNAMAPT
SCHEMBL7377906 0.81 TGM2 (0.37) ITGB3ITGAVALDH1A1ITGA2BITGB1
SCHEMBL7377901 0.81 TGM2 (0.37) ITGB3ITGAVALDH1A1ITGA2BITGB1
SCHEMBL7380445 0.79 ALDH1A1 (0.39) ITGB3ITGAVALDH1A1ITGA2BITGB1
SCHEMBL7380583 0.79 GPR132 (0.39) ITGB3ITGAVALDH1A1ITGA2BITGB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP claimed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed