SCHEMBL5777935

SCHEMBL5777935

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cn(C)c3cc(CNc4ncc[nH]4)ccc3c2=O)C(=O)O)c(C)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.75
ITGB3 P05106 19/20 0.75
ITGA2B P08514 16/20 0.55
ITGB1 P05556 4/20 0.51
ITGA5 P08648 4/20 0.51

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
SCHEMBL5780038 1.00 ITGAV (0.75) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5778482 0.90 ITGAV (0.75) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5782455 0.90 ITGAV (0.67) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5778926 0.90 ITGAV (0.62) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5779811 0.89 ITGB3 (0.61) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL14440961 0.89 ITGB3 (0.63) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5779695 0.88 ITGAV (0.60) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5780573 0.87 ITGAV (0.59) ITGAVITGB3ITGA2BITGB1ITGA5
SCHEMBL5780305 0.87 ITGB3 (0.59) ITGAVITGB3ITGA2B
SCHEMBL5781866 0.87 ITGAV (0.59) ITGAVITGB3ITGA2BITGB1ITGA5

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-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP claimed
EP-0944619-B1 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-10-11 EP disclosed
US-6358976-B1 FOR THERAPY AND PROPHYLAXIS OF CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, OR MACULAR DEGENERATION LANTHEUS MI REAL ESTATE, LLC 2002-03-19 US disclosed
US-6130231-A SUBSTITUTED 2,3-DIHYDROQUINOLIN-4-ONES DUPONT PHARMACEUTICALS (US) 2000-10-10 US disclosed