SCHEMBL7490983

SCHEMBL7490983

COC(=O)c1ccc(OCCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.65
CA1 P00915 5/20 0.65
CA2 P00918 5/20 0.65
CA9 Q16790 5/20 0.65
MAPT P10636 2/20 0.60
RAB9A P51151 1/20 0.55
MGLL Q99685 1/20 0.53
SUCNR1 Q9BXA5 5/20 0.50
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDK2 Q15119 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL15856116 0.96 CA12 (0.66) CA12CA1CA2CA9MAPT
SCHEMBL445487 0.96 CA1 (0.64) CA12CA1CA2CA9MAPT
SCHEMBL17162111 0.94 CA12 (0.60) CA12CA1CA2CA9MAPT
SCHEMBL7488414 0.88 CA12 (0.67) CA12CA1CA2CA9SUCNR1
SCHEMBL31245861 0.86 CA12 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL4082188 0.85 MAPT (0.59) CA12CA1CA2CA9MAPT
SCHEMBL13185193 0.85 CA12 (0.67) CA12CA1CA2CA9MAPT
SCHEMBL28382403 0.85 CA12 (0.60) CA12CA1CA2CA9SUCNR1
SCHEMBL8457822 0.85 CA12 (0.54) CA12CA1CA2CA9MAPT
SCHEMBL15672693 0.85 CA12 (0.70) CA12CA1CA2CA9SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808783-A1 NOVEL CROSSLINKED ALGINIC ACID Mochida Pharmaceutical Co., Ltd. (JP) 2021-04-21 EP disclosed
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
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