SCHEMBL7948606

SCHEMBL7948606

O=C(O)COc1cccc2c(CNS(=O)(=O)c3ccccc3)coc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.56
TBXA2R P21731 9/20 0.56
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TBXAS1 P24557 1/20 0.44
MCL1 Q07820 1/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL7959750 0.89 PTGIR (0.50) PTGIRTBXA2RTDP1KDM4EALDH1A1
SCHEMBL7958749 0.86 PTGIR (0.55) PTGIRTBXA2RTDP1KDM4EALDH1A1
SCHEMBL7958541 0.83 PTGIR (0.55) PTGIRTBXA2RTDP1KDM4EALDH1A1
SCHEMBL7958312 0.82 PTGIR (0.52) PTGIRTBXA2RTDP1KDM4EALDH1A1
SCHEMBL7956328 0.81 PTGIR (0.53) PTGIRTBXA2RTDP1KDM4EALDH1A1
SCHEMBL7948729 0.81 PTGIR (0.52) PTGIRTBXA2RTDP1KDM4EALDH1A1
SCHEMBL7960057 0.80 PTGIR (0.58) PTGIRTBXA2RTDP1KDM4EALDH1A1
SCHEMBL7948759 0.80 PTGIR (0.52) PTGIRTBXA2RTDP1KDM4EALDH1A1
SCHEMBL7957874 0.78 PTGIR (0.56) PTGIRTBXA2RHPGD
SCHEMBL7956426 0.78 PTGIR (0.57) PTGIRTBXA2RTDP1KDM4EALDH1A1

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