SCHEMBL7315183

SCHEMBL7315183

CC(C)(C)OC(=O)NCCCCCCOc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA9 Q16790 5/20 0.62
ITGB3 P05106 3/20 0.61
ITGA2B P08514 3/20 0.61
SUCNR1 Q9BXA5 9/20 0.56
PTPN1 P18031 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC7A5 Q01650 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
SCHEMBL2025554 0.92 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL28577195 0.92 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL7293433 0.90 CA12 (0.61) CA12CA1CA2CA9ITGB3
SCHEMBL7493207 0.89 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL7300004 0.87 ITGB3 (0.64) CA12CA1CA2CA9ITGB3
SCHEMBL7352113 0.86 ITGB3 (0.66) CA12CA1CA2CA9ITGB3
SCHEMBL25310398 0.86 SUCNR1 (0.49) CA12CA1CA2CA9ITGB3
SCHEMBL25310401 0.86 SUCNR1 (0.49) CA12CA1CA2CA9ITGB3
SCHEMBL12709532 0.83 CA1 (0.70) CA12CA1CA2CA9ITGB3
SCHEMBL8933079 0.83 REN (0.57) CA12CA1CA2CA9ITGB3

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 8 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
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed