SCHEMBL6504867

SCHEMBL6504867

CCC(C)OC(=O)C(C)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 2/20 0.45
ALOX5 P09917 3/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
PPARA Q07869 3/20 0.45
PPARD Q03181 2/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL7099922 0.84 PPARG (0.59) PPARGL3MBTL1LMNAKDM4EMEN1
SCHEMBL458396 0.80 MMP8 (0.37) PPARGLMNAMAPTPPARAACE
SCHEMBL15510768 0.80 MMP8 (0.40) KDM4EMAPTKMT2APPARAPPARD
SCHEMBL7708014 0.80 CYP4F2 (0.47) KDM4EKMT2AMAOBALOX5MME
SCHEMBL7620591 0.78 FFAR1 (0.50) PPARGPPARAFFAR1
SCHEMBL6504864 0.78 MMP8 (0.63) PPARGL3MBTL1LMNAKDM4EMEN1
SCHEMBL7617574 0.76 NPSR1 (0.41) MEN1MAPTKMT2A
SCHEMBL7622718 0.76 LTB4R (0.44) KDM4EMAOBALOX5MMEACE
SCHEMBL1497878 0.76 FFAR1 (0.44) PPARGL3MBTL1LMNAKDM4EMEN1
SCHEMBL5326113 0.76 PPARG (0.59) PPARGL3MBTL1LMNAKDM4EMEN1

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
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed