SCHEMBL8556843

SCHEMBL8556843

CC(C)(C)OC(=O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)cc1O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
HDAC6 Q9UBN7 2/20 0.42
PRMT5 O14744 9/20 0.40
WDR77 Q9BQA1 9/20 0.40
ESR2 Q92731 1/20 0.39
NR1H2 P55055 1/20 0.37

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
SCHEMBL8557314 0.90 ITGB3 (0.51) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8558884 0.90 ITGB3 (0.53) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8558319 0.89 ITGB3 (0.48) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8553064 0.89 ITGB3 (0.62) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8556028 0.87 PRMT5 (0.43) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8317945 0.86 ITGB3 (0.53) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8832621 0.84 ITGB3 (0.62) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8455279 0.84 ITGB3 (0.60) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8554664 0.83 ITGB3 (0.56) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8317194 0.83 ITGB3 (0.50) 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 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