SCHEMBL7948818

SCHEMBL7948818

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
PTGIR P43119 10/20 0.43
TBXA2R P21731 7/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN7 P35236 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 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
SCHEMBL7956256 0.89 PTGIR (0.45) KDM4EALDH1A1HPGDTDP1ADORA3
SCHEMBL7958975 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1ADORA3
SCHEMBL7958318 0.85 PTGIR (0.43) KDM4EALDH1A1HPGDTDP1ADORA3
SCHEMBL7956745 0.83 PTGIR (0.47) KDM4EALDH1A1HPGDTDP1ADORA3
SCHEMBL7958775 0.82 NPC1 (0.46) KDM4EALDH1A1HPGDADORA2APOLB
SCHEMBL7948440 0.80 ADORA3 (0.40) ADORA3ADORA2AADORA1
SCHEMBL7958324 0.78 ADORA3 (0.43) KDM4EALDH1A1HPGDTDP1ADORA3
SCHEMBL7956438 0.75 PTGIR (0.68) KDM4EALDH1A1HPGDTDP1PTGIR
SCHEMBL7956031 0.74 F2RL3 (0.43) KDM4EALDH1A1HPGDADORA3ADORA2A
SCHEMBL7967332 0.74 MAPT (0.48) KDM4EALDH1A1HPGDTDP1ADORA3

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