SCHEMBL8556789

SCHEMBL8556789

CC(C)(C)OC(=O)N1CCc2sc(CCO)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
NR1H2 P55055 1/20 0.49
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
ADORA1 P30542 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
P2RX3 P56373 6/20 0.39
NAMPT P43490 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2921637 0.90 ESR2 (0.52) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL5548036 0.88 ESR2 (0.48) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL12393136 0.88 ESR2 (0.52) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL5548939 0.87 ESR2 (0.47) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL6198277 0.87 NR1H2 (0.53) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL7992597 0.86 ESR2 (0.50) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL19539155 0.85 ESR2 (0.49) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL5543033 0.85 ADORA1 (0.48) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL12340040 0.83 ESR2 (0.47) ESR2NR1H2BRD4CREBBPADORA1
SCHEMBL3441375 0.82 ESR2 (0.49) ESR2NR1H2BRD4CREBBPADORA1

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