SCHEMBL13745205

SCHEMBL13745205

CCNCc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OCC1CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.59
TBXA2R P21731 5/20 0.54
PTGDR Q13258 5/20 0.54
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
PTGIR P43119 2/20 0.47

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
SCHEMBL153095 0.86 PTGDR2 (0.77) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL140979 0.84 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153407 0.80 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1201358 0.79 PSEN1 (0.62) PTGDR2
SCHEMBL140978 0.79 PTGDR2 (0.78) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL142815 0.78 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136310 0.78 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL138780 0.78 PTGDR2 (0.73) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153611 0.77 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL155862 0.77 PTGDR2 (0.76) 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