SCHEMBL13745470

SCHEMBL13745470

CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC)C(=O)OCc1cccc(I)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.73
TBXA2R P21731 4/20 0.73
PTGDR Q13258 4/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 2/20 0.73
PTGIR P43119 2/20 0.73

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
SCHEMBL151628 0.91 PTGDR2 (0.87) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL149864 0.91 PTGDR2 (0.87) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL13745388 0.88 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL154525 0.88 PTGDR2 (0.86) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL152051 0.88 PTGDR2 (0.86) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL150391 0.87 PTGDR2 (0.86) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL138466 0.86 PTGDR2 (0.86) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL140534 0.86 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL253800 0.85 PTGDR2 (0.86) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137657 0.85 PTGDR2 (0.87) 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