SCHEMBL4337917

SCHEMBL4337917

CC(C)O[C@@H](CC(=O)O)c1cccc(CNC(=O)OCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 2/20 0.45
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TGM2 P21980 1/20 0.44
MAPK14 Q16539 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
THRB P10828 1/20 0.43
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
TACR1 P25103 1/20 0.43
MLYCD O95822 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL4328963 0.92 PTGDR2 (0.47) NR3C2PTGDR2
SCHEMBL4343518 0.88 FFAR1 (0.49) NR3C2KDM4EPTGDR2TACR1
SCHEMBL4334187 0.88 FFAR1 (0.49) NR3C2L3MBTL1BCHEKDM4ENPSR1
SCHEMBL4335207 0.88 FFAR1 (0.41) NR3C2PTGDR2
SCHEMBL4331854 0.86 OPRM1 (0.44) L3MBTL1MAPK14PTGDR2MMP12
SCHEMBL4334154 0.85 LMNA (0.44) L3MBTL1BCHELMNA
SCHEMBL4342514 0.84 ALDH1A1 (0.42) LMNA
SCHEMBL4343484 0.83 PTGDR2 (0.45) PTGDR2MMP1MMP12
SCHEMBL4334667 0.83 NPC1 (0.49) L3MBTL1KDM4ENPSR1LMNA
SCHEMBL4337913 0.82 PPARA (0.47) L3MBTL1TGM2MAPK14THRBMMP1

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