SCHEMBL7389644

SCHEMBL7389644

CCOc1ccc(C(CC(=O)O)NC(=O)CCCCc2ccc(C=NN)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.51
ITGA2B P08514 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
ITGB8 P26012 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ACACB O00763 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LPAR3 Q9UBY5 2/20 0.39

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 0.90 ITGB3 (0.60) ITGB3ITGA2BKMT2AITGAVITGB5
SCHEMBL7389153 0.89 ITGB3 (0.54) ITGB3ITGA2BSMN1; SMN2ITGAVITGB5
SCHEMBL7383936 0.88 ITGB3 (0.56) ITGB3ITGA2BSMN1; SMN2ALDH1A1KMT2A
SCHEMBL7390056 0.86 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7384204 0.86 ITGB3 (0.67) ITGB3ITGA2BALDH1A1KMT2AITGAV
SCHEMBL7392702 0.85 ITGB3 (0.55) ITGB3ITGA2BSMN1; SMN2LMNAITGAV
SCHEMBL7385748 0.85 ITGB3 (0.55) ITGB3ITGA2BALDH1A1KMT2AITGAV
SCHEMBL7388743 0.85 ITGB3 (0.55) ITGB3ITGA2BLMNAITGAVITGB5
SCHEMBL7385778 0.85 ITGB3 (0.60) 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 6 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
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP 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