SCHEMBL6505285

SCHEMBL6505285

CC(C)Oc1ccc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)ccc2OC(C)C)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.43
PPARD Q03181 15/20 0.43
PPARG P37231 11/20 0.43
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL6503712 0.94 PPARA (0.50) PPARAPPARDPPARG
SCHEMBL6494267 0.93 PPARA (0.44) PPARAPPARDPPARG
SCHEMBL6502816 0.92 PPARG (0.46) PPARAPPARDPPARG
SCHEMBL6503062 0.91 PDE4A (0.40) PPARAPPARDPPARGEPHX2
SCHEMBL6494274 0.90 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL6496320 0.90 PDE4A (0.42) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL6504955 0.87 PPARG (0.51) PPARAPPARDPPARG
SCHEMBL6507629 0.85 PPARA (0.49) PPARAPPARDPPARG
SCHEMBL6494327 0.85 EPHX2 (0.37) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL6503457 0.85 PDE4A (0.42) PPARAPPARDPPARGEPHX2

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