SCHEMBL7388489

SCHEMBL7388489

COc1ccc(C(CC(=O)O)NC(=O)CCCCc2ccc(C=NN)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.52
ITGAV P06756 1/20 0.52
ITGB5 P18084 1/20 0.52
ITGB6 P18564 1/20 0.52
ITGB8 P26012 1/20 0.52
POLB P06746 2/20 0.52
ITGA2B P08514 7/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.42
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 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
SCHEMBL7380918 0.87 ITGB3 (0.60) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7384014 0.87 ITGB3 (0.52) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7388729 0.87 ITGB3 (0.49) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7385504 0.86 ITGB3 (0.47) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7388477 0.84 ITGB3 (0.71) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL9710599 0.84 ITGB3 (0.57) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7388279 0.84 ITGB3 (0.50) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7388815 0.84 ITGB3 (0.46) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7379224 0.84 ITGB3 (0.57) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL7390056 0.84 ITGB3 (0.56) ITGB3ITGAVITGB5ITGB6ITGB8

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