SCHEMBL7315577

SCHEMBL7315577

CCCCCCC(=O)NC(Cc1ccc(OCCCCCCNC(=O)OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.69
ITGA2B P08514 6/20 0.69
SUCNR1 Q9BXA5 7/20 0.56
ITGB1 P05556 3/20 0.54
ITGA4 P13612 3/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
ACE P12821 1/20 0.50

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
SCHEMBL7327782 1.00 ITGB3 (0.69) ITGB3ITGA2BSUCNR1ITGB1ITGA4
SCHEMBL7300050 0.90 ITGB3 (0.61) ITGB3ITGA2BSUCNR1ACE
SCHEMBL7298204 0.90 ITGB3 (0.61) ITGB3ITGA2BSUCNR1ACE
SCHEMBL7319944 0.87 ITGB3 (0.67) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7352113 0.86 ITGB3 (0.66) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL7330647 0.86 ITGB3 (0.74) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL7335757 0.86 ITGB3 (0.74) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL13726312 0.85 ITGB3 (0.65) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL6369971 0.85 ACE (0.67) ACE
SCHEMBL7300004 0.85 ITGB3 (0.64) ITGB3ITGA2BSUCNR1CA12CA1

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