SCHEMBL8554664

SCHEMBL8554664

CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCC(=O)c3ccc(OCC(=O)O)c(OCc4ccccc4)c3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.56
ITGA2B P08514 9/20 0.56
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRMT5 O14744 7/20 0.40
WDR77 Q9BQA1 7/20 0.40
GCK P35557 1/20 0.40
HDAC6 Q9UBN7 1/20 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
SCHEMBL8553064 0.94 ITGB3 (0.62) ITGB3ITGA2BHTTSMN1; SMN2PRMT5
SCHEMBL8832621 0.90 ITGB3 (0.62) ITGB3ITGA2BHTTSMN1; SMN2PRMT5
SCHEMBL8317945 0.87 ITGB3 (0.53) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL8317194 0.85 ITGB3 (0.50) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL8557314 0.85 ITGB3 (0.51) ITGB3ITGA2BHTTSMN1; SMN2PRMT5
SCHEMBL8455279 0.85 ITGB3 (0.60) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL7834582 0.84 ITGB3 (0.47) ITGB3ITGA2BHTTSMN1; SMN2HDAC6
SCHEMBL8556843 0.83 ITGB3 (0.48) ITGB3ITGA2BPRMT5WDR77HDAC6
SCHEMBL8833336 0.83 ITGB3 (0.45) ITGB3ITGA2BSMN1; SMN2PRMT5WDR77
SCHEMBL8835697 0.82 PRMT5 (0.43) PRMT5WDR77GCKHDAC6

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