SCHEMBL7358570

SCHEMBL7358570

COC(=O)C(Cc1ccc(OCCCCCCNC(=O)OC(C)(C)C)cc1)N(C=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
SUCNR1 Q9BXA5 5/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
PSMB8 P28062 1/20 0.42
PSMB9 P28065 1/20 0.42
PSMB5 P28074 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7431233 0.93 CA12 (0.48) CA12CA1CA2CA9SUCNR1
SCHEMBL7417689 0.93 CA12 (0.48) CA12CA1CA2CA9SUCNR1
SCHEMBL7422118 0.93 CA12 (0.48) CA12CA1CA2CA9SUCNR1
SCHEMBL7421813 0.93 CA12 (0.48) CA12CA1CA2CA9SUCNR1
SCHEMBL7296988 0.80 ITGB3 (0.62) SUCNR1MAPTPOLBMAPK1ITGB3
SCHEMBL7274084 0.80 YAP1 (0.60) ITGB3ITGA2BKDM4E
SCHEMBL7490606 0.79 ITGB3 (0.64) SUCNR1MAPTPOLBMAPK1ITGB3
SCHEMBL13726317 0.79 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL13726306 0.79 CA12 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL30440340 0.78 CA12 (0.63) 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-0478328-B1 Novel fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-10 EP disclosed
EP-0528586-B1 Inhibiting osteoclast-mediated bone resorption using aminoalkyl-substituted phenyl derivatives MERCK & CO INC (US) 1995-02-22 EP disclosed
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed
US-5217994-A METHOD OF INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION BY ADMINISTRATION OF AMINOALKYL-SUBSTITUTED PHENYL DERIVATIVES MERCK & CO., INC. (US) 1993-06-08 US disclosed
US-5204350-A Treating osteoporosis MERCK & CO., INC. (US) 1993-04-20 US disclosed
EP-0528587-A1 Inhibiting osteoclast-mediated bone resorption using substituted phenyl derivatives MERCK & CO. INC. (US) 1993-02-24 EP disclosed
EP-0528586-A1 Inhibiting osteoclast-mediated bone resorption using aminoalkyl-substituted phenyl derivatives MERCK & CO. INC. (US) 1993-02-24 EP disclosed