SCHEMBL7490606

SCHEMBL7490606

COC(=O)[C@H](Cc1ccc(OCCCCNC(=O)OC(C)(C)C)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.64
ITGA2B P08514 14/20 0.64
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
ITGAV P06756 1/20 0.54
SUCNR1 Q9BXA5 3/20 0.52

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
SCHEMBL7296988 0.99 ITGB3 (0.62) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL29260893 0.94 ITGB3 (0.66) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL9161400 0.93 ITGB3 (0.72) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL7402776 0.93 ITGB3 (0.72) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL30638155 0.91 ITGB3 (0.63) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL30149863 0.90 ITGB3 (0.67) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL25389246 0.89 ITGB3 (0.51) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL25389248 0.89 ITGB3 (0.51) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL7490231 0.88 GAA (0.58) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL6716140 0.88 ITGB3 (0.75) ITGB3ITGA2BMAPTITGAV

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-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP disclosed
US-5929120-A Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1999-07-27 US disclosed
US-5741796-A Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1998-04-21 US disclosed