SCHEMBL8560838

SCHEMBL8560838

CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCC(O)c3ccc(OCC(=O)O)c(OCC(=O)O)c3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 15/20 0.46
WDR77 Q9BQA1 15/20 0.46
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8314351 0.90 PRMT5 (0.49) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8314579 0.87 NR1H2 (0.38) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8553064 0.85 ITGB3 (0.62) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8318234 0.85 PRMT5 (0.48) PRMT5WDR77HDAC6
SCHEMBL8833336 0.85 ITGB3 (0.45) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8832621 0.81 ITGB3 (0.62) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8554664 0.80 ITGB3 (0.56) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8832972 0.80 ITGB3 (0.47) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL8317945 0.80 ITGB3 (0.53) PRMT5WDR77ITGB3ITGA2BHDAC6
SCHEMBL7834582 0.79 ITGB3 (0.47) ITGB3ITGA2BHDAC6

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
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed