SCHEMBL13761111

SCHEMBL13761111

BCc1cc(C(F)(F)F)ccc1Oc1cc(CC(=O)OCC)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.43
TBXA2R P21731 4/20 0.43
PTGDR Q13258 4/20 0.43
FFAR1 O14842 1/20 0.42
FFAR2 O15552 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
PTGIR P43119 2/20 0.42
DRD2 P14416 1/20 0.40
CETP P11597 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1643088 0.91 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRFFAR1FFAR2
SCHEMBL13760999 0.90 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRFFAR1FFAR2
SCHEMBL1644127 0.90 DRD2 (0.45) PTGDR2TBXA2RPTGDRFFAR1FFAR2
SCHEMBL1945418 0.87 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRFFAR1FFAR2
SCHEMBL2278477 0.86 CYP3A4 (0.54) PTGDR2TBXA2RPTGDRFFAR1FFAR2
SCHEMBL2275749 0.85 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRFFAR1FFAR2
SCHEMBL1009816 0.85 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1944008 0.84 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2279317 0.84 PPARG (0.51) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1058954 0.84 PTGDR2 (0.52) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed