SCHEMBL17400342

SCHEMBL17400342

CCOC(=O)C(C)c1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)NCC2=CCCC=C2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.52
CETP P11597 11/20 0.49
TBXA2R P21731 4/20 0.46
PTGDR Q13258 4/20 0.46
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
PTGIR P43119 2/20 0.43

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
SCHEMBL154594 0.85 PTGDR2 (0.72) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL150573 0.82 CETP (0.53) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL152863 0.81 CETP (0.57) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL150422 0.79 PTGDR2 (0.68) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL153294 0.78 PTGDR2 (0.75) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL152276 0.76 CETP (0.52) PTGDR2CETPTBXA2RPTGDR
SCHEMBL150483 0.76 PTGDR2 (0.72) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL137108 0.75 PTGDR2 (0.56) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL151192 0.74 CETP (0.56) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL153972 0.73 CETP (0.61) PTGDR2CETPTBXA2RPTGDRCYP3A4

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
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed