SCHEMBL8556840

SCHEMBL8556840

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
F2 P00734 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
GRAMD1A Q96CP6 1/20 0.34
PRMT5 O14744 5/20 0.34
WDR77 Q9BQA1 5/20 0.34
ADORA1 P30542 2/20 0.34
P2RX3 P56373 2/20 0.34
PRKCI P41743 1/20 0.34
ACACB O00763 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 0.90 ADORA1 (0.38) ESR2NR1H2KDM4EMAPTHDAC6
SCHEMBL8558878 0.89 TPSAB1 (0.46) ESR2NR1H2KDM4EMAPTHDAC6
SCHEMBL8558315 0.87 NR1H2 (0.35) ESR2NR1H2KDM4EMAPTHDAC6
SCHEMBL8556021 0.87 F2 (0.41) ESR2NR1H2KDM4EMAPTHDAC6
SCHEMBL8556843 0.83 ITGB3 (0.48) ESR2NR1H2HDAC6PRMT5WDR77
SCHEMBL8557314 0.74 ITGB3 (0.51) MAPTHDAC6PRMT5WDR77ADORA1
SCHEMBL8558884 0.74 ITGB3 (0.53) ESR2NR1H2KDM4EMAPTHDAC6
SCHEMBL7834582 0.73 ITGB3 (0.47) ESR2NR1H2KDM4EMAPTHDAC6
SCHEMBL8558319 0.73 ITGB3 (0.48) ESR2NR1H2HDAC6BRD4CREBBP
SCHEMBL6421478 0.72 NR1H2 (0.54) ESR2NR1H2KDM4EMAPTHDAC6

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