SCHEMBL7963142

SCHEMBL7963142

CC(OC1CCCCO1)c1c(CCO)oc2c(OCC(=O)O)cccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 14/20 0.48
TBXA2R P21731 12/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.35
P2RX3 P56373 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7958633 0.88 TBXA2R (0.40) PTGIRTBXA2RPTGDR2P2RX3TP53
SCHEMBL7956568 0.86 GLA (0.35) PTGIRTBXA2R
SCHEMBL7959858 0.85 TBXA2R (0.37) PTGIRTBXA2RPTGDR2P2RX3TP53
SCHEMBL7963138 0.80 TBXA2R (0.56) PTGIRTBXA2RPTGDR2P2RX3TP53
SCHEMBL7948671 0.80 PTGIR (0.34) PTGIRTBXA2RPTGDR2P2RX3TP53
SCHEMBL7959853 0.71 TBXA2R (0.40) PTGIRTBXA2RPTGDR2P2RX3TP53
SCHEMBL7958632 0.71 TBXA2R (0.44) PTGIRTBXA2RPTGDR2P2RX3
SCHEMBL7948667 0.66 TBXA2R (0.37) PTGIRTBXA2RPTGDR2P2RX3
SCHEMBL7956157 0.66 TBXA2R (0.58) PTGIRTBXA2RPOLBKDM4EALDH1A1
SCHEMBL7956565 0.66 MEN1 (0.39) PTGIRTBXA2R

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