SCHEMBL6493850

SCHEMBL6493850

CCOC(=O)C(Cc1ccc(OC)c(CCOc2ccc(C(F)(F)F)cc2)c1)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.50
PPARD Q03181 13/20 0.50
PPARG P37231 10/20 0.45
MMP1 P03956 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR2 O15552 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL6505645 0.90 PPARA (0.55) PPARAPPARDPPARGMMP1
SCHEMBL6495040 0.86 PPARA (0.62) PPARAPPARDPPARG
SCHEMBL6503203 0.84 PPARA (0.48) PPARAPPARDPPARGMMP1FFAR1
SCHEMBL6502319 0.82 PPARD (0.69) PPARAPPARDPPARG
SCHEMBL4335151 0.80 ALOX15 (0.42) PPARAPPARDPPARG
SCHEMBL6495524 0.80 PPARA (0.76) PPARAPPARDPPARG
SCHEMBL6495805 0.79 PKM (0.44) PPARAPPARD
SCHEMBL4334772 0.78 PPARA (0.59) PPARAPPARDPPARGMMP1
SCHEMBL4329462 0.78 ALOX15 (0.44) PPARAPPARDPPARG
SCHEMBL6506184 0.78 ALOX15 (0.46) PPARAPPARDPPARG

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