SCHEMBL13745987

SCHEMBL13745987

CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)N[C@H](C)c2ccc(C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.59
TBXA2R P21731 4/20 0.59
PTGDR Q13258 4/20 0.59
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
PTGIR P43119 2/20 0.54
CETP P11597 7/20 0.51

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
SCHEMBL153214 0.94 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL151928 0.94 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL149661 0.87 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137659 0.87 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL134858 0.87 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL151510 0.85 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL139384 0.85 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL138133 0.85 PTGDR2 (0.72) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL13746174 0.83 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153709 0.83 PTGDR2 (0.68) 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-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed