SCHEMBL6497644

SCHEMBL6497644

CCOC(=O)C(Cc1ccc(OC(C)C)c(CNC(=O)OC(C)(C)C)c1)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
PPARG P37231 9/20 0.41
PPARD Q03181 8/20 0.37
PPARA Q07869 8/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
XBP1 P17861 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
P2RX3 P56373 1/20 0.36
KCNA5 P22460 1/20 0.35
SCN9A Q15858 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL6496923 0.92 PPARA (0.45) PPARGPPARDPPARA
SCHEMBL6503438 0.92 PPARG (0.44) PPARGPPARDPPARAMAPTNPSR1
SCHEMBL6507710 0.90 PPARG (0.45) PPARGPPARDPPARA
SCHEMBL5549723 0.88 HDAC1 (0.39) TSHRPPARGMAPTNPSR1L3MBTL1
SCHEMBL6498144 0.86 NPY1R (0.37) PPARGPPARDPPARARECQLEPHX2
SCHEMBL6496499 0.86 PPARG (0.39) PPARGPPARDPPARAEPHX2
SCHEMBL4337044 0.84 MAPT (0.46) PPARGMAPTNPSR1L3MBTL1RECQL
SCHEMBL4327276 0.83 GLS (0.44) TSHRMAPTNPSR1L3MBTL1RECQL
SCHEMBL5549065 0.82 AAK1 (0.34) ALDH1A1PPARGMAPTNPSR1L3MBTL1
SCHEMBL6495176 0.82 PPARD (0.40) PPARGPPARDPPARAMAPTKCNA5

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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed