SCHEMBL7380937

SCHEMBL7380937

NN=Cc1ccc(CCCCC(=O)NC(CC(=O)O)c2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.55
ITGA2B P08514 6/20 0.55
ITGAV P06756 10/20 0.43
ITGB5 P18084 8/20 0.43
ITGB6 P18564 7/20 0.43
ITGB8 P26012 6/20 0.43
FFAR1 O14842 3/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G2A P14555 1/20 0.39
GNA15 P30679 1/20 0.38
PTGER3 P43115 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL7383936 0.93 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7384014 0.91 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7379224 0.90 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7384204 0.90 ITGB3 (0.67) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL9710599 0.88 ITGB3 (0.57) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7383491 0.87 ITGB3 (0.54) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7380918 0.85 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7388729 0.85 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7387460 0.85 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7386975 0.85 ITGB3 (0.53) 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 5 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
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