SCHEMBL7319944

SCHEMBL7319944

CC(C)(C)OC(=O)NCCCCCCOc1ccc(CC(NC(=O)Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.67
ITGA2B P08514 9/20 0.67
SUCNR1 Q9BXA5 8/20 0.57
ACE P12821 1/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53

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
SCHEMBL7427789 0.90 ITGB3 (0.57) ITGB3ITGA2BSUCNR1ACECA12
SCHEMBL7289435 0.90 ITGB3 (0.57) ITGB3ITGA2BSUCNR1ACECA12
SCHEMBL7298204 0.90 ITGB3 (0.61) ITGB3ITGA2BSUCNR1ACE
SCHEMBL7300050 0.90 ITGB3 (0.61) ITGB3ITGA2BSUCNR1ACE
SCHEMBL9161400 0.89 ITGB3 (0.72) ITGB3ITGA2BSUCNR1
SCHEMBL7402776 0.89 ITGB3 (0.72) ITGB3ITGA2BSUCNR1
SCHEMBL7352113 0.88 ITGB3 (0.66) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL13726312 0.87 ITGB3 (0.65) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7300004 0.87 ITGB3 (0.64) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7315577 0.87 ITGB3 (0.69) ITGB3ITGA2BSUCNR1ACECA12

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 3 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
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed