SCHEMBL7960057

SCHEMBL7960057

CC(=O)NCc1coc2c(OCC(=O)O)cccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.58
TBXA2R P21731 7/20 0.58
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MTNR1A P48039 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
MTNR1B P49286 1/20 0.39

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
SCHEMBL7957874 0.85 PTGIR (0.56) PTGIRTBXA2RHPGDSMN1; SMN2GLA
SCHEMBL7956638 0.83 TSHR (0.44) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7960566 0.81 PTGIR (0.66) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948606 0.80 PTGIR (0.56) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948782 0.80 PTGIR (0.65) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958749 0.79 PTGIR (0.55) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7959190 0.79 PTGIR (0.67) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948850 0.78 TBXA2R (0.46) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7528166 0.78 PTGIR (0.53) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7960287 0.78 PTGIR (0.66) 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