SCHEMBL3435892

SCHEMBL3435892

COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1CN(C(C)=O)c1ccccc1CCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.67
TBXA2R P21731 5/20 0.65
PTGDR Q13258 5/20 0.65
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
PTGIR P43119 2/20 0.61

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
SCHEMBL151577 0.89 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL152598 0.87 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL152252 0.84 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL151985 0.83 PTGDR2 (0.84) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL138678 0.83 PTGDR2 (0.75) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3435896 0.82 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL151713 0.80 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL154771 0.80 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL151487 0.79 PTGDR2 (0.75) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL150731 0.79 PTGDR2 (0.74) 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