SCHEMBL7965748

SCHEMBL7965748

O=C(O)COc1cccc2c(CC(SCc3ccc(Cl)cc3)SCc3ccc(Cl)cc3)coc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 11/20 0.59
TBXA2R P21731 8/20 0.59
PSMB8 P28062 2/20 0.39
PSMB5 P28074 2/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRB1 P08588 3/20 0.36
ADRB3 P13945 3/20 0.36
ADRB2 P07550 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 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
SCHEMBL7948632 0.82 PTGIR (0.66) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7956621 0.78 PTGIR (0.85) PTGIRTBXA2RMAPTKDM4EALDH1A1
SCHEMBL7965750 0.76 PTGIR (0.52) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7959451 0.75 PTGIR (1.00) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7948777 0.73 PTGIR (0.58) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7958820 0.73 PTGIR (0.58) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7956720 0.73 PTGIR (0.58) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7958794 0.72 PTGIR (0.60) PTGIRTBXA2RPSMB8PSMB5KDM4E
SCHEMBL7960566 0.72 PTGIR (0.66) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7956276 0.72 PTGIR (1.00) PTGIRTBXA2RPSMB8PSMB5KDM4E

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