SCHEMBL7948374

SCHEMBL7948374

CC(C)c1oc2c(OCC(=O)O)cccc2c1CNS(=O)(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.50
PTGIR P43119 13/20 0.50
CASP1 P29466 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
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
SCHEMBL7958928 0.88 TBXA2R (0.52) TBXA2RPTGIRCASP1MMP8MMP12
SCHEMBL7956738 0.82 TBXA2R (0.51) TBXA2RPTGIRCASP1KDM4EALDH1A1
SCHEMBL7963013 0.81 TBXA2R (0.52) TBXA2RPTGIRMMP8MMP12MMP13
SCHEMBL7958541 0.80 PTGIR (0.55) TBXA2RPTGIRMMP8MMP12MMP13
SCHEMBL7956039 0.79 TBXA2R (0.45) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958687 0.79 TBXA2R (0.50) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7948722 0.75 TBXA2R (0.56) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7956328 0.74 PTGIR (0.53) TBXA2RPTGIRCASP1MMP8MMP12
SCHEMBL7966601 0.74 TBXA2R (0.52) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7948729 0.74 PTGIR (0.52) TBXA2RPTGIRCASP1MMP8MMP12

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