SCHEMBL4335207

SCHEMBL4335207

CC(C)O[C@@H](CC(=O)O)c1cccc(CNC(=O)OCc2ccc(F)c(C(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.41
PTPN7 P35236 2/20 0.39
DUSP3 P51452 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
P2RX7 Q99572 4/20 0.39
NR3C2 P08235 1/20 0.37
CARM1 Q86X55 1/20 0.37

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
SCHEMBL4343518 0.93 FFAR1 (0.49) FFAR1PTGDR2P2RX7NR3C2CARM1
SCHEMBL4337917 0.88 NR3C2 (0.45) PTGDR2NR3C2
SCHEMBL4328963 0.88 PTGDR2 (0.47) FFAR1PTGDR2NR3C2CARM1
SCHEMBL4342514 0.84 ALDH1A1 (0.42) FFAR1
SCHEMBL4334187 0.84 FFAR1 (0.49) FFAR1PTGDR2NR3C2
SCHEMBL4331854 0.84 OPRM1 (0.44) PTGDR2
SCHEMBL4334154 0.83 LMNA (0.44) FFAR1
SCHEMBL4335209 0.83 PPARG (0.41) PTPN7DUSP3P2RX7CARM1
SCHEMBL4335200 0.83 PPARG (0.41) PTPN7DUSP3P2RX7CARM1
SCHEMBL4334667 0.81 NPC1 (0.49) FFAR1

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed