SCHEMBL7948850

SCHEMBL7948850

CC(=O)NCc1c(C)oc2c(OCC(=O)O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.46
PTGIR P43119 9/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 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
SCHEMBL7956039 0.85 TBXA2R (0.45) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7956254 0.84 MAPT (0.44) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL7956157 0.81 TBXA2R (0.58) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7948857 0.81 TBXA2R (0.50) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958687 0.80 TBXA2R (0.50) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7960057 0.78 PTGIR (0.58) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958928 0.78 TBXA2R (0.52) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL8053215 0.77 PTGIR (0.48) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7956738 0.76 TBXA2R (0.51) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958516 0.76 PTGIR (0.56) TBXA2RPTGIRKDM4EALDH1A1HPGD

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