SCHEMBL7958863

SCHEMBL7958863

Cc1oc2c(OCC(=O)O)cccc2c1CCNS(=O)(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.51
PTGIR P43119 8/20 0.51
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MCL1 Q07820 1/20 0.41
TBXAS1 P24557 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL7963013 0.92 TBXA2R (0.52) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958687 0.90 TBXA2R (0.50) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7963101 0.87 TBXA2R (0.52) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958928 0.83 TBXA2R (0.52) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7948722 0.82 TBXA2R (0.56) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7956738 0.82 TBXA2R (0.51) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958516 0.80 PTGIR (0.56) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7956426 0.80 PTGIR (0.57) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7956157 0.79 TBXA2R (0.58) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7948857 0.78 TBXA2R (0.50) 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