SCHEMBL7398477

SCHEMBL7398477

CCCCOC(=O)N(CCCOc1ccc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(CC(=O)O)C2)c1cccc[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.44
ITGA2B P08514 10/20 0.44
ITGAV P06756 8/20 0.44
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
ITGB1 P05556 1/20 0.32
ITGB5 P18084 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL6418659 0.93 ITGB3 (0.43) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL7399463 0.93 ITGB3 (0.44) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL7399466 0.93 ITGB3 (0.44) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6421900 0.93 ITGB3 (0.45) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6421285 0.93 ITGB3 (0.45) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6424968 0.90 ITGB3 (0.45) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6419454 0.89 ITGB3 (0.49) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL7400162 0.87 ITGB3 (0.52) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL7400165 0.87 ITGB3 (0.52) ITGB3ITGA2BITGAVPPARDPPARA
SCHEMBL6419321 0.87 ITGB3 (0.38) ITGB3ITGA2BITGAVPPARDPPARA

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-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 WO disclosed