SCHEMBL7490231

SCHEMBL7490231

COC(=O)[C@H](Cc1ccc(OCCCCNC(=O)OC(C)(C)C)cc1)NC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
SUCNR1 Q9BXA5 8/20 0.57
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
PAX8 Q06710 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL7490606 0.88 ITGB3 (0.64) SUCNR1ITGB3ITGA2BPOLBMAPT
SCHEMBL7296988 0.87 ITGB3 (0.62) SUCNR1ITGB3ITGA2BPOLBMAPT
SCHEMBL7361860 0.86 CA1 (0.55) SUCNR1ITGB3ITGA2BPOLBMAPT
SCHEMBL20024957 0.86 ITGB1 (0.59) SUCNR1ITGB3ITGA2BCA12CA1
SCHEMBL7488523 0.83 CA12 (0.56) SUCNR1ITGB3ITGA2BPOLBCA12
SCHEMBL7291185 0.83 ITGB3 (0.58) SUCNR1ITGB3ITGA2BPAX8TDP1
SCHEMBL29260893 0.82 ITGB3 (0.66) ITGB3ITGA2BPOLBMAPTMAPK1
SCHEMBL7490286 0.81 GAA (0.60) GAARAB9AITGB3ITGA2BMEN1
SCHEMBL7490295 0.81 GAA (0.60) GAARAB9AITGB3ITGA2BMEN1
SCHEMBL9161400 0.80 ITGB3 (0.72) SUCNR1ITGB3ITGA2BPOLBMAPT

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 5 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-5741796-A Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1998-04-21 US 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