SCHEMBL12901871

SCHEMBL12901871

CCN(Cc1cc(C)ccc1-c1cc(CC(=O)N=O)ccc1OC)C(=O)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.66
TBXA2R P21731 4/20 0.47
PTGDR Q13258 4/20 0.47
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
SCHEMBL135309 0.91 PTGDR2 (0.78) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136873 0.90 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL4116144 0.90 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL12900609 0.89 PTGDR2 (0.67) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL12900608 0.86 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL12900610 0.86 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136134 0.86 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL135073 0.85 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137599 0.85 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137889 0.85 PTGDR2 (0.69) 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-2011017201-A2 DP2 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed