SCHEMBL4331854

SCHEMBL4331854

CC(C)O[C@@H](CC(=O)O)c1cccc(CNC(=O)OCc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
HTR2C P28335 1/20 0.42
MAPK14 Q16539 1/20 0.42
MMP12 P39900 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
GLS O94925 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
EPHX2 P34913 1/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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 0.90 PTGDR2 (0.47) OPRM1PTGDR2
SCHEMBL4334667 0.89 NPC1 (0.49) MAPTL3MBTL1
SCHEMBL4334154 0.86 LMNA (0.44) MAPTL3MBTL1
SCHEMBL4337917 0.86 NR3C2 (0.45) MAPK14MMP12PTGDR2L3MBTL1
SCHEMBL4342514 0.85 ALDH1A1 (0.42) MAPT
SCHEMBL4329062 0.85 MAPT (0.48) MAPTL3MBTL1
SCHEMBL4343518 0.84 FFAR1 (0.49) OPRM1PTGDR2PPARA
SCHEMBL4335207 0.84 FFAR1 (0.41) PTGDR2
SCHEMBL4332643 0.83 CASP1 (0.42) MAPT
SCHEMBL4328671 0.82 PPARA (0.48) HTR2CMAPK14MMP12EPHX2PPARA

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP disclosed