SCHEMBL7958632

SCHEMBL7958632

C=CCc1oc2c(OCC(=O)O)cccc2c1CCOC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.44
PTGIR P43119 8/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.36
P2RX3 P56373 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGDR Q13258 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
SCHEMBL7963138 0.89 TBXA2R (0.56) TBXA2RPTGIRMEN1KMT2AKDM4C
SCHEMBL7959853 0.83 TBXA2R (0.40) TBXA2RPTGIRMEN1KMT2AKDM4C
SCHEMBL7958633 0.80 TBXA2R (0.40) TBXA2RPTGIRPTPN1P2RX3PTGDR2
SCHEMBL7962823 0.79 PTGIR (0.58) TBXA2RPTGIRPTGDR2PTGDR
SCHEMBL7948667 0.79 TBXA2R (0.37) TBXA2RPTGIRMEN1KMT2AKDM4C
SCHEMBL7956565 0.74 MEN1 (0.39) TBXA2RPTGIRMEN1KMT2AKDM4C
SCHEMBL7963142 0.71 PTGIR (0.48) TBXA2RPTGIRP2RX3PTGDR2
SCHEMBL7959858 0.67 TBXA2R (0.37) TBXA2RPTGIRP2RX3PTGDR2
SCHEMBL3169563 0.66 MEN1 (0.61) MEN1KMT2AKDM4C
SCHEMBL7948739 0.66 KDM4E (0.41) TBXA2RPTGIRMEN1KMT2AL3MBTL1

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