SCHEMBL7651509

SCHEMBL7651509

CC(C)(C)OC(=O)C(Cc1cc2cc(CCC(=O)NC3=NCCCN3)ccc2o1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.52
ITGAV P06756 15/20 0.52
ITGA2B P08514 7/20 0.52
ITGB5 P18084 1/20 0.38
CASP1 P29466 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL6969094 0.92 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5CASP1
SCHEMBL6964129 0.92 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5
Hydrochloric Acid SCHEMBL7659068 0.91 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5CASP1
SCHEMBL7224008 0.86 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7232314 0.86 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5CASP1
SCHEMBL7222557 0.84 ITGB3 (0.38) ITGB3ITGAVITGA2B
SCHEMBL6978381 0.82 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL7231335 0.82 CASP1 (0.47) ITGB3ITGA2BCASP1MAOA
SCHEMBL7223767 0.80 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5
SCHEMBL4838464 0.80 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458801-B1 PHARMACEUTICALLY ACCEPTABLE SALTS AND ITS PRODRUG USEFUL FOR TREATING OSTEOPOROSIS. AVENTIS PHARMA S.A. (FR) 2002-10-01 US disclosed