SCHEMBL3433110

SCHEMBL3433110

CCN(Cc1c(CC(=O)O)ccc(OC)c1-c1ccc(C(F)(F)F)cc1)C(=O)OCc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.65
TBXA2R P21731 4/20 0.57
PTGDR Q13258 4/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
PTGIR P43119 2/20 0.57

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
SCHEMBL3432794 0.92 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3428936 0.90 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3432155 0.86 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL17387610 0.86 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3427902 0.84 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153736 0.82 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3430244 0.81 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3428553 0.81 PTGDR2 (0.41) PTGDR2TBXA2RPTGDR
SCHEMBL152505 0.80 PTGDR2 (0.89) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL27799846 0.79 PTGDR2 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed