SCHEMBL8560665

SCHEMBL8560665

CC(C)(C)OC(=O)N1CCCc2sc(C(=O)O)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
DAO P14920 1/20 0.50
ESR2 Q92731 1/20 0.48
ADORA1 P30542 2/20 0.47
NR1H2 P55055 2/20 0.47
HDAC6 Q9UBN7 3/20 0.46
MAPK1 P28482 2/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HPGD P15428 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL743782 0.93 HDAC6 (0.54) ALDH1A1DAOESR2ADORA1NR1H2
SCHEMBL23452601 0.86 ADORA1 (0.46) ALDH1A1DAOESR2ADORA1NR1H2
SCHEMBL23142240 0.85 ESR2 (0.50) ESR2ADORA1NR1H2HDAC6MAPK1
SCHEMBL976244 0.85 ADORA1 (0.55) ALDH1A1DAOESR2ADORA1NR1H2
SCHEMBL23142234 0.85 ESR2 (0.50) ESR2ADORA1NR1H2HDAC6MAPK1
SCHEMBL23142244 0.84 ESR2 (0.49) ALDH1A1ESR2ADORA1NR1H2HDAC6
SCHEMBL978284 0.84 HDAC6 (0.59) ESR2ADORA1NR1H2HDAC6MAPK1
SCHEMBL11174437 0.84 ALDH1A1 (0.51) ALDH1A1DAOHDAC6MAPK1HPGD
SCHEMBL8558763 0.84 ALDH1A1 (0.50) ALDH1A1DAOESR2ADORA1NR1H2
SCHEMBL8555269 0.82 HDAC6 (0.54) ESR2ADORA1NR1H2HDAC6MAPK1

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 4 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-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US 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