SCHEMBL7958388

SCHEMBL7958388

O=C(O)CCc1cccc2c(CCOC(c3ccccc3)c3ccccc3)coc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.46
TBXA2R P21731 7/20 0.46
PSMB5 P28074 3/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
PARP1 P09874 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 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
SCHEMBL7957017 0.93 PTGIR (0.48) PTGIRTBXA2RPSMB5PTGER1PTGER4
SCHEMBL7958426 0.92 PTGIR (0.47) PTGIRTBXA2RPSMB5
SCHEMBL7958406 0.85 PTGIR (0.56) PTGIRTBXA2RPSMB5
SCHEMBL7958534 0.84 PTGIR (0.56) PTGIRTBXA2RPSMB5
SCHEMBL7960382 0.84 PTGIR (0.47) PTGIRTBXA2RPSMB5SLC6A4SLC6A3
SCHEMBL7948961 0.82 PTGIR (0.46) PTGIRTBXA2RPSMB5
SCHEMBL7958938 0.82 PTGIR (0.69) PTGIRTBXA2RPSMB5
SCHEMBL7957079 0.81 PTGIR (0.46) PTGIRTBXA2RPSMB5
SCHEMBL7960033 0.76 PTGIR (0.64) PTGIRTBXA2RPSMB5
SCHEMBL7948871 0.73 PTGIR (0.61) PTGIRTBXA2RPSMB5

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