SCHEMBL7958495

SCHEMBL7958495

O=C(O)COc1cccc2c(COCCCOC(c3ccccc3)c3ccccc3)coc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.59
TBXA2R P21731 8/20 0.59
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7948871 0.94 PTGIR (0.61) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948745 0.88 PTGIR (0.67) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958938 0.86 PTGIR (0.69) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958845 0.85 PTGIR (0.69) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7960033 0.85 PTGIR (0.64) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7956438 0.83 PTGIR (0.68) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948668 0.82 PTGIR (0.59) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948664 0.82 PTGIR (0.59) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7960439 0.82 PTGIR (0.59) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948750 0.81 PTGIR (0.58) 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 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