SCHEMBL7948633

SCHEMBL7948633

CSC(CC(c1ccccc1)c1ccccc1)c1coc2c(OCC(=O)O)cccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.59
TBXA2R P21731 13/20 0.59
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7956276 0.74 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7959451 0.73 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7956438 0.73 PTGIR (0.68) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958912 0.72 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958306 0.72 PTGIR (0.62) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958704 0.72 PTGIR (0.62) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958337 0.72 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958309 0.72 PTGIR (0.62) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948391 0.72 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948745 0.71 PTGIR (0.67) 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