SCHEMBL7958476

SCHEMBL7958476

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 14/20 0.60
TBXA2R P21731 11/20 0.60
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ROCK2 O75116 1/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
ROCK1 Q13464 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 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
SCHEMBL7956750 0.85 PTGIR (0.61) PTGIRTBXA2RTDP1ALDH1A1KDM4E
SCHEMBL7960288 0.84 PTGIR (0.40) PTGIRTBXA2RKDM4EHPGDL3MBTL1
SCHEMBL7958773 0.83 PTGIR (0.59) PTGIRTBXA2RTDP1ALDH1A1KDM4E
SCHEMBL7956134 0.83 PTGIR (0.73) PTGIRTBXA2RTDP1ALDH1A1KDM4E
SCHEMBL7948782 0.82 PTGIR (0.65) PTGIRTBXA2RTDP1ALDH1A1KDM4E
SCHEMBL7956749 0.82 PTGIR (0.57) PTGIRTBXA2RTDP1ALDH1A1KDM4E
SCHEMBL7960033 0.81 PTGIR (0.64) PTGIRTBXA2RTDP1ALDH1A1KDM4E
SCHEMBL7960566 0.81 PTGIR (0.66) PTGIRTBXA2RTDP1ALDH1A1KDM4E
SCHEMBL7958938 0.80 PTGIR (0.69) PTGIRTBXA2RTDP1ALDH1A1KDM4E
SCHEMBL7959190 0.79 PTGIR (0.67) PTGIRTBXA2RTDP1ALDH1A1KDM4E

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