SCHEMBL7485245

SCHEMBL7485245

COC(=O)CC1Nc2ccc(C(=O)O)cc2CN(C2CC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.44
ITGA2B P08514 11/20 0.44
ITGAV P06756 15/20 0.44

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
SCHEMBL4023860 0.86 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL5155928 0.86 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL4024909 0.86 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL337310 0.82 ITGB3 (0.48) ITGB3ITGA2BITGAV
SCHEMBL7668371 0.82 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7078802 0.77 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL5972894 0.74 VDR (0.49) ITGB3ITGA2BITGAV
SCHEMBL5972553 0.74 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL6677340 0.74 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL6677335 0.74 ITGB3 (0.68) ITGB3ITGA2BITGAV

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
US-6495545-B1 ANTIOSTEOPOROTIC, ANTIRESTENOTIC, ANTICARCINOGENIC AND ANTIATHEROSCLEROTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-6339083-B1 FOR THERAPY OF OSTEOPOROSIS, RESTENOSIS, CARCINOSES AND/OR ARTERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-01-15 US disclosed
EP-1140927-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
WO-2000035917-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed