SCHEMBL8557673

SCHEMBL8557673

CC(C)(C)OC(=O)N1CCc2sc(C(=O)c3nc(-c4ccc(O)cc4)cs3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
HDAC6 Q9UBN7 2/20 0.42
NR1H2 P55055 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
USP30 Q70CQ3 3/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NAMPT P43490 1/20 0.36
ENPP2 Q13822 2/20 0.36
PRKCI P41743 1/20 0.35
GRAMD1A Q96CP6 1/20 0.35
UCHL1 P09936 1/20 0.35
ADORA1 P30542 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL8558433 0.88 F2 (0.41) ESR2HDAC6NR1H2BRD4CREBBP
SCHEMBL8556263 0.87 P2RX3 (0.42) ESR2MAPTKDM4EENPP2GPR119
SCHEMBL8558435 0.81 TPSAB1 (0.40) HDAC6MAPTENPP2GRAMD1AGPR119
SCHEMBL1174513 0.74 HDAC6 (0.72) ESR2HDAC6NR1H2BRD4CREBBP
SCHEMBL743782 0.74 HDAC6 (0.54) ESR2HDAC6NR1H2BRD4CREBBP
SCHEMBL8555269 0.74 HDAC6 (0.54) ESR2HDAC6NR1H2BRD4CREBBP
SCHEMBL6421478 0.73 NR1H2 (0.54) ESR2HDAC6NR1H2BRD4CREBBP
SCHEMBL978284 0.73 HDAC6 (0.59) ESR2HDAC6NR1H2BRD4CREBBP
SCHEMBL6422061 0.71 NR1H2 (0.52) ESR2HDAC6NR1H2BRD4CREBBP
SCHEMBL15166579 0.71 ESR2 (0.50) ESR2NR1H2MAPTKDM4ENAMPT

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