SCHEMBL7955902

SCHEMBL7955902

COCOCc1oc2c(OC)cccc2c1CCSC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.56
PTGIR P43119 10/20 0.56
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAOA P21397 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL7963091 0.85 TBXA2R (0.74) TBXA2RPTGIRKDM4EALDH1A1MAOA
SCHEMBL7955903 0.81 TBXA2R (0.52) TBXA2RPTGIRKDM4EALDH1A1MAOA
SCHEMBL7960069 0.79 TBXA2R (0.40) TBXA2RPTGIRKDM4EALDH1A1MAOA
SCHEMBL7948955 0.75 MEN1 (0.41) TBXA2RPTGIRKDM4EALDH1A1MAOA
SCHEMBL7960424 0.74 MAOA (0.36) TBXA2RPTGIRKDM4EALDH1A1MAOA
SCHEMBL7948713 0.71 PTGIR (0.87) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7948964 0.71 PTGIR (0.79) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958082 0.69 PTGIR (0.76) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958766 0.69 PTGIR (0.84) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958818 0.68 PTGIR (0.74) TBXA2RPTGIRKDM4EALDH1A1HPGD

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 2 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
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed