SCHEMBL7384387

SCHEMBL7384387

NN=Cc1ccc(CCCCC(=O)NC(CC(=O)O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.52
ITGA2B P08514 4/20 0.52
ITGAV P06756 8/20 0.50
ITGB5 P18084 8/20 0.50
ITGB6 P18564 8/20 0.50
ITGB8 P26012 6/20 0.50
UTS2R Q9UKP6 3/20 0.44
EEF2K O00418 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSA P10619 1/20 0.38

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
SCHEMBL7380918 0.92 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7388743 0.89 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7386975 0.89 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7390056 0.88 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7384204 0.88 ITGB3 (0.67) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7385778 0.87 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7385748 0.87 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7392702 0.87 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7388376 0.86 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7387377 0.85 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB5ITGB6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US claimed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed