SCHEMBL7490891

SCHEMBL7490891

CC(C)(C)OC(=O)C(CNC(=O)c1ccc(OCCNc2nccs2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.54
ITGAV P06756 2/20 0.54
ITGA2B P08514 14/20 0.53
SCN3A Q9NY46 2/20 0.44
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7490874 0.89 ITGB3 (0.66) ITGB3ITGAVITGA2BSCN3A
SCHEMBL7486656 0.88 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7486439 0.84 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL7493829 0.83 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL8459092 0.79 ITGAV (0.56) ITGB3ITGAVITGA2B
SCHEMBL7486179 0.79 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL8802938 0.79 ITGB3 (0.51) ITGB3ITGAVITGA2B
SCHEMBL7403276 0.79 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL7402138 0.78 ITGB3 (0.55) ITGB3ITGAVITGA2B
SCHEMBL8903718 0.77 ITGB3 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO disclosed