SCHEMBL3429070

SCHEMBL3429070

CCN(Cc1c(-c2ccc(C(F)(F)F)cc2)ccc(C(F)(F)F)c1CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.59
TBXA2R P21731 3/20 0.59
PTGDR Q13258 3/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
PTGIR P43119 2/20 0.59
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL27800144 0.94 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3434387 0.91 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3432140 0.89 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3425530 0.86 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL27799901 0.84 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153836 0.82 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3423126 0.80 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL27799896 0.79 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153736 0.78 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL27821110 0.78 PTGDR2 (0.50) 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 claimed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO claimed