SCHEMBL8555620

SCHEMBL8555620

CC(C)(C)OC(=O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)nc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.55
ITGA2B P08514 3/20 0.55
HDAC6 Q9UBN7 3/20 0.42
F2 P00734 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
MAPT P10636 2/20 0.39
GCK P35557 1/20 0.39
SLC8A1 P32418 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ESR2 Q92731 1/20 0.37
GRAMD1A Q96CP6 1/20 0.37
NR1H2 P55055 1/20 0.36
ACACB O00763 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
SCHEMBL8558884 0.89 ITGB3 (0.53) ITGB3ITGA2BHDAC6F2TPSAB1
SCHEMBL8557675 0.85 PRMT5 (0.45) HDAC6F2TPSAB1TPSD1TPSG1
SCHEMBL8556028 0.85 PRMT5 (0.43) ITGB3ITGA2BHDAC6F2TPSAB1
SCHEMBL8455279 0.83 ITGB3 (0.60) ITGB3ITGA2BHDAC6F2TPSAB1
SCHEMBL8556843 0.82 ITGB3 (0.48) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8832972 0.81 ITGB3 (0.47) ITGB3ITGA2BHDAC6F2TPSAB1
SCHEMBL8832697 0.80 ITGB3 (0.50) ITGB3ITGA2BHDAC6F2TPSAB1
SCHEMBL8557314 0.79 ITGB3 (0.51) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8558319 0.78 ITGB3 (0.48) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8558144 0.78 ITGB3 (0.45) ITGB3ITGA2BHDAC6F2TPSAB1

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