SCHEMBL7958534

SCHEMBL7958534

O=C(O)CCCOc1cccc2c(CCOC(c3ccccc3)c3ccccc3)coc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.56
TBXA2R P21731 7/20 0.56
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MCL1 Q07820 1/20 0.38
S1PR5 Q9H228 1/20 0.38
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
CNR2 P34972 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL7958406 0.95 PTGIR (0.56) PTGIRTBXA2RHTR1AADRA1DADRA1A
SCHEMBL7958938 0.89 PTGIR (0.69) PTGIRTBXA2RHTR1AADRA1DADRA1A
SCHEMBL7957017 0.87 PTGIR (0.48) PTGIRTBXA2RPSMB5
SCHEMBL7958426 0.86 PTGIR (0.47) PTGIRTBXA2RLTB4RLTB4R2PSMB5
SCHEMBL7958388 0.84 PTGIR (0.46) PTGIRTBXA2RPSMB5
SCHEMBL7960033 0.83 PTGIR (0.64) PTGIRTBXA2RHTR1AADRA1DADRA1A
SCHEMBL7948961 0.82 PTGIR (0.46) PTGIRTBXA2RPSMB5
SCHEMBL7960382 0.80 PTGIR (0.47) PTGIRTBXA2RPSMB5
SCHEMBL7958495 0.78 PTGIR (0.59) PTGIRTBXA2RHTR1AADRA1DADRA1A
SCHEMBL7948871 0.78 PTGIR (0.61) PTGIRTBXA2RHTR1AADRA1DADRA1A

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