SCHEMBL3432089

SCHEMBL3432089

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.39
TBXA2R P21731 2/20 0.39
PTGDR Q13258 2/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
PPARD Q03181 2/20 0.39
MTOR P42345 1/20 0.38
PPARA Q07869 3/20 0.36
PPARG P37231 1/20 0.36
AKR1C3 P42330 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL3425673 0.83 MCHR1 (0.38) PTGDR2TBXA2RPTGDRPPARDPPARA
SCHEMBL1361839 0.81 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3427902 0.81 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3434970 0.81 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL151937 0.80 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3394086 0.80 PTGDR2 (0.40) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3432090 0.79 PTGDR2 (0.39) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3424171 0.79 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRRXRARXRB
SCHEMBL3430527 0.78 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRPPARAPPARG
SCHEMBL1235425 0.77 PTGDR2 (0.63) PTGDR2TBXA2RPTGDRPPARDPPARA

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