SCHEMBL7948671

SCHEMBL7948671

CC(=O)OCC=Cc1oc2c(OCC(=O)O)cccc2c1C(C)OC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.34
TBXA2R P21731 11/20 0.34
P2RX3 P56373 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
PTGER4 P35408 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7959858 0.89 TBXA2R (0.37) PTGIRTBXA2RP2RX3PTGDR2TP53
SCHEMBL7948667 0.83 TBXA2R (0.37) PTGIRTBXA2RP2RX3PTGDR2
SCHEMBL7958633 0.80 TBXA2R (0.40) PTGIRTBXA2RP2RX3PTGDR2TP53
SCHEMBL7963142 0.80 PTGIR (0.48) PTGIRTBXA2RP2RX3PTGDR2TP53
SCHEMBL7959853 0.71 TBXA2R (0.40) PTGIRTBXA2RP2RX3PTGDR2TP53
SCHEMBL7956568 0.66 GLA (0.35) PTGIRTBXA2RPTGER4
SCHEMBL7963138 0.64 TBXA2R (0.56) PTGIRTBXA2RP2RX3PTGDR2TP53
SCHEMBL7958632 0.64 TBXA2R (0.44) PTGIRTBXA2RP2RX3PTGDR2
SCHEMBL2082568 0.61 MEN1 (0.33) PTGER4ALDH1A1HPGD
SCHEMBL11654334 0.61 MAOB (0.42) POLBPTGER4

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