SCHEMBL8467386

SCHEMBL8467386

COC(=O)CC1Nc2ccc(C(=O)O)cc2CN(CCc2ccc3c(c2)OCO3)C1=O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.59
ITGAV P06756 10/20 0.59
ITGA2B P08514 9/20 0.47

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
SCHEMBL7132139 0.91 ITGB3 (0.67) ITGB3ITGAVITGA2B
SCHEMBL7668371 0.81 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL337310 0.81 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL4024909 0.78 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL4023860 0.78 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL5155928 0.78 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7079853 0.76 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL6674672 0.76 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL6674674 0.76 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL5972894 0.74 VDR (0.49) ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed