SCHEMBL7958633

SCHEMBL7958633

C=CCc1oc2c(OCC(=O)O)cccc2c1C(C)OC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.40
PTGIR P43119 10/20 0.40
P2RX3 P56373 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
PTPN1 P18031 1/20 0.34
PTGDR Q13258 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7963142 0.88 PTGIR (0.48) TBXA2RPTGIRP2RX3PTGDR2TP53
SCHEMBL7959858 0.84 TBXA2R (0.37) TBXA2RPTGIRP2RX3PTGDR2TP53
SCHEMBL7958632 0.80 TBXA2R (0.44) TBXA2RPTGIRP2RX3PTGDR2PTPN1
SCHEMBL7948671 0.80 PTGIR (0.34) TBXA2RPTGIRP2RX3PTGDR2TP53
SCHEMBL7956568 0.74 GLA (0.35) TBXA2RPTGIR
SCHEMBL7963138 0.70 TBXA2R (0.56) TBXA2RPTGIRP2RX3PTGDR2TP53
SCHEMBL7962823 0.69 PTGIR (0.58) TBXA2RPTGIRPTGDR2PTGDRKDM4E
SCHEMBL7959853 0.68 TBXA2R (0.40) TBXA2RPTGIRP2RX3PTGDR2TP53
SCHEMBL7948667 0.65 TBXA2R (0.37) TBXA2RPTGIRP2RX3PTGDR2
SCHEMBL11948057 0.65 PTPN1 (0.36) P2RX3PTGDR2PTPN1PTGDRPOLB

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