SCHEMBL8557314

SCHEMBL8557314

CCOC(=O)COc1cc(C(=O)CNC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
PRMT5 O14744 5/20 0.38
WDR77 Q9BQA1 5/20 0.38
ADORA1 P30542 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8556843 0.90 ITGB3 (0.48) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8553064 0.90 ITGB3 (0.62) ITGB3ITGA2BHTTSMN1; SMN2HDAC6
SCHEMBL8558319 0.90 ITGB3 (0.48) ITGB3ITGA2BHTTSMN1; SMN2HDAC6
SCHEMBL8558884 0.86 ITGB3 (0.53) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8832621 0.86 ITGB3 (0.62) ITGB3ITGA2BHTTSMN1; SMN2HDAC6
SCHEMBL8554664 0.85 ITGB3 (0.56) ITGB3ITGA2BHTTSMN1; SMN2HDAC6
SCHEMBL8557311 0.84 ADORA1 (0.38) ITGB3ITGA2BHTTSMN1; SMN2HDAC6
SCHEMBL8556028 0.84 PRMT5 (0.43) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8317945 0.83 ITGB3 (0.53) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8317194 0.82 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