SCHEMBL8317194

SCHEMBL8317194

CC(=O)OCc1cc(C(=O)CNC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)ccc1OCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.50
ITGA2B P08514 9/20 0.50
HDAC6 Q9UBN7 1/20 0.39
PRMT5 O14744 9/20 0.39
WDR77 Q9BQA1 9/20 0.39
ESR2 Q92731 1/20 0.36

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
SCHEMBL8317945 0.91 ITGB3 (0.53) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8553064 0.89 ITGB3 (0.62) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8320720 0.86 ITGB3 (0.46) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8554664 0.85 ITGB3 (0.56) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8832621 0.85 ITGB3 (0.62) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8319848 0.85 ITGB3 (0.47) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8455279 0.85 ITGB3 (0.60) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8556843 0.83 ITGB3 (0.48) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8832697 0.82 ITGB3 (0.50) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8557314 0.82 ITGB3 (0.51) ITGB3ITGA2BHDAC6PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed