SCHEMBL8558315

SCHEMBL8558315

CCNC(=O)Oc1cc(C(=O)C(N)C(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PRMT5 O14744 5/20 0.34
WDR77 Q9BQA1 5/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
F2 P00734 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
GRAMD1A Q96CP6 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKCI P41743 1/20 0.32
PRSS1 P07477 1/20 0.32

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
SCHEMBL8557311 0.88 ADORA1 (0.38) NR1H2BRD4CREBBPHDAC6PRMT5
SCHEMBL8556840 0.87 ESR2 (0.40) NR1H2BRD4CREBBPHDAC6PRMT5
SCHEMBL8558319 0.86 ITGB3 (0.48) NR1H2BRD4CREBBPHDAC6PRMT5
SCHEMBL8558878 0.83 TPSAB1 (0.46) NR1H2BRD4CREBBPHDAC6PRMT5
SCHEMBL8556021 0.81 F2 (0.41) NR1H2BRD4CREBBPHDAC6PRMT5
SCHEMBL8557314 0.76 ITGB3 (0.51) HDAC6PRMT5WDR77MAPTITGB3
SCHEMBL8556843 0.75 ITGB3 (0.48) NR1H2HDAC6PRMT5WDR77ESR2
SCHEMBL8553064 0.73 ITGB3 (0.62) HDAC6PRMT5WDR77ITGB3ITGA2B
SCHEMBL8558884 0.72 ITGB3 (0.53) NR1H2HDAC6PRMT5WDR77ESR2
SCHEMBL7834582 0.72 ITGB3 (0.47) NR1H2BRD4CREBBPHDAC6ESR2

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