SCHEMBL7956256

SCHEMBL7956256

O=C(O)COc1cccc2cc(COCCC(c3ccccc3)c3ccccc3)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.45
TBXA2R P21731 7/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADORA2A P29274 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2B P29275 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PTPN7 P35236 1/20 0.36
CNR2 P34972 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
SCHEMBL7948818 0.89 KDM4E (0.45) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958318 0.87 PTGIR (0.43) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7956745 0.85 PTGIR (0.47) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958975 0.83 KDM4E (0.46) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7962809 0.83 ADORA2A (0.45) KDM4EALDH1A1HPGDADORA2AADORA2B
SCHEMBL7958492 0.81 HTR2B (0.39) ADORA2AADORA3ADORA1CYP3A4
SCHEMBL7956031 0.76 F2RL3 (0.43) KDM4EALDH1A1HPGDADORA2AADORA3
SCHEMBL7958845 0.76 PTGIR (0.69) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958324 0.76 ADORA3 (0.43) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7967332 0.72 MAPT (0.48) PTGIRTBXA2RKDM4EALDH1A1HPGD

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