SCHEMBL7378145

SCHEMBL7378145

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.56
ITGAV P06756 17/20 0.56
F10 P00742 1/20 0.48
ALB P02768 1/20 0.48
ITGA2B P08514 1/20 0.48
CTSL P07711 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7375575 0.87 ITGB3 (0.52) ITGB3ITGAVF10ITGA2BCTSL
SCHEMBL7376066 0.86 ITGB3 (0.50) ITGB3ITGAVF10ITGA2BCTSL
SCHEMBL7379286 0.85 ITGB3 (0.66) ITGB3ITGAVALBITGA2B
SCHEMBL7379281 0.85 ITGB3 (0.66) ITGB3ITGAVALBITGA2B
SCHEMBL7380577 0.80 CTSL (0.54) F10CTSL
SCHEMBL7409607 0.80 ITGB3 (0.47) ITGB3ITGAVITGA2BCTSLMAPT
SCHEMBL7377898 0.80 CA12 (0.41) ITGB3ITGAVF10ITGA2BMAPT
SCHEMBL7375597 0.80 CA12 (0.48) ITGB3ITGAVF10ITGA2BCTSL
SCHEMBL5878537 0.79 ITGB3 (0.86) ITGB3ITGAVALBITGA2B
SCHEMBL5878533 0.79 ITGB3 (0.86) ITGB3ITGAVALBITGA2B

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