SCHEMBL7956749

SCHEMBL7956749

O=C(O)COc1cccc2c(CCOCc3ccc(-c4ccccc4)cc3)coc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.57
TBXA2R P21731 8/20 0.57
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.39
FFAR1 O14842 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.37
PTGER4 P35408 1/20 0.37
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB5 P28074 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
SCHEMBL7956750 0.94 PTGIR (0.61) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958890 0.84 PSMB8 (0.43) PTGIRTBXA2RALDH1A1HPGDTDP1
SCHEMBL7958773 0.83 PTGIR (0.59) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958476 0.82 PTGIR (0.60) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7956134 0.80 PTGIR (0.73) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7960033 0.78 PTGIR (0.64) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958948 0.78 PTGIR (0.57) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7960566 0.78 PTGIR (0.66) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958938 0.78 PTGIR (0.69) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948782 0.77 PTGIR (0.65) 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