SCHEMBL3432090

SCHEMBL3432090

COc1ccc(CC(=O)O)c(CN(CC(N)=O)C(C)=O)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.39
TBXA2R P21731 4/20 0.39
PTGDR Q13258 4/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
PPARD Q03181 4/20 0.39
CD274 Q9NZQ7 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
PTGIR P43119 2/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL1361839 0.93 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3427902 0.89 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3394086 0.87 PTGDR2 (0.40) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3434970 0.86 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL151937 0.82 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3424171 0.81 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3428160 0.80 PTGDR2 (0.42) PTGDR2TBXA2RPTGDRPPARDCYP3A4
SCHEMBL3430527 0.80 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3430404 0.79 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3432089 0.79 PTGDR2 (0.39) PTGDR2TBXA2RPTGDRRXRARXRB

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