SCHEMBL7956738

SCHEMBL7956738

Cc1oc2c(OCC(=O)O)cccc2c1CNS(=O)(=O)CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.51
PTGIR P43119 10/20 0.51
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL7958928 0.94 TBXA2R (0.52) TBXA2RPTGIRCASP1KDM4EALDH1A1
SCHEMBL7958687 0.89 TBXA2R (0.50) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7963013 0.86 TBXA2R (0.52) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7956328 0.83 PTGIR (0.53) TBXA2RPTGIRCASP1KDM4EALDH1A1
SCHEMBL7948374 0.82 TBXA2R (0.50) TBXA2RPTGIRCASP1KDM4EALDH1A1
SCHEMBL7948722 0.82 TBXA2R (0.56) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958863 0.82 TBXA2R (0.51) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7948729 0.80 PTGIR (0.52) TBXA2RPTGIRCASP1KDM4EALDH1A1
SCHEMBL7948759 0.79 PTGIR (0.52) TBXA2RPTGIRCASP1KDM4EALDH1A1
SCHEMBL7958516 0.78 PTGIR (0.56) TBXA2RPTGIRKDM4EALDH1A1HPGD

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
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed