SCHEMBL7388376

SCHEMBL7388376

NN=Cc1ccc(CCCCC(=O)NC(CC(=O)O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.59
ITGA2B P08514 6/20 0.59
ITGAV P06756 6/20 0.49
ITGB5 P18084 4/20 0.49
ITGB6 P18564 4/20 0.49
ITGB8 P26012 2/20 0.49
HDAC2 Q92769 5/20 0.48
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PLA2G2A P14555 1/20 0.42
MGLL Q99685 1/20 0.41
CTSA P10619 2/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40

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
SCHEMBL7384204 0.94 ITGB3 (0.67) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7380918 0.94 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7390056 0.90 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7383936 0.89 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7385748 0.89 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7385778 0.89 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7392702 0.89 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7388743 0.89 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL9710599 0.88 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7389153 0.87 ITGB3 (0.54) 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 3 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 disclosed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed