SCHEMBL7960023

SCHEMBL7960023

Cc1oc2c(OCC(=O)O)cccc2c1CCSC(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 0.67
TBXA2R P21731 15/20 0.67
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL7959498 0.93 PTGIR (0.76) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL8053215 0.86 PTGIR (0.48) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948621 0.80 PTGIR (0.86) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958434 0.80 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958516 0.79 PTGIR (0.56) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948713 0.79 PTGIR (0.87) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948964 0.79 PTGIR (0.79) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7956157 0.79 TBXA2R (0.58) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7966682 0.78 TBXA2R (0.45) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958766 0.78 PTGIR (0.84) PTGIRTBXA2RKDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed