SCHEMBL7948759

SCHEMBL7948759

O=C(O)COc1cccc2c(CNS(=O)(=O)CCCCCc3ccccc3)coc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.52
TBXA2R P21731 9/20 0.52
PSMB8 P28062 1/20 0.39
PSMB5 P28074 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
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CASP1 P29466 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
SCHEMBL7948729 0.99 PTGIR (0.52) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7956328 0.96 PTGIR (0.53) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7958541 0.92 PTGIR (0.55) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7958749 0.87 PTGIR (0.55) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7958312 0.83 PTGIR (0.52) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7948606 0.80 PTGIR (0.56) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7956426 0.79 PTGIR (0.57) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7956738 0.79 TBXA2R (0.51) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958773 0.77 PTGIR (0.59) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7948886 0.76 PTGIR (0.66) PTGIRTBXA2RPSMB8PSMB5KDM4E

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