SCHEMBL7300004

SCHEMBL7300004

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.64
ITGA2B P08514 4/20 0.64
SUCNR1 Q9BXA5 10/20 0.61
CA12 O43570 4/20 0.59
CA1 P00915 4/20 0.59
CA2 P00918 4/20 0.59
CA9 Q16790 4/20 0.59
PTPN1 P18031 2/20 0.49
PTPN22 Q9Y2R2 1/20 0.49

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
SCHEMBL7352113 0.90 ITGB3 (0.66) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL13726312 0.89 ITGB3 (0.65) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7287528 0.89 ITGB3 (0.67) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7291406 0.88 ITGB3 (0.82) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL13756368 0.88 ITGB3 (0.68) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7319944 0.87 ITGB3 (0.67) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7315183 0.87 CA12 (0.62) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7327782 0.85 ITGB3 (0.69) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7315577 0.85 ITGB3 (0.69) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL9161400 0.85 ITGB3 (0.72) ITGB3ITGA2BSUCNR1PTPN1

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