SCHEMBL6151399

SCHEMBL6151399

CCOC(=O)[C@H](Cc1ccc(OC(C)CC(=O)OC(C)(C)C)cc1)OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.39
PPARG P37231 13/20 0.39
MMP1 P03956 1/20 0.39
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACACB O00763 1/20 0.35
PPARD Q03181 2/20 0.35
KMT2A Q03164 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL6150601 0.91 PPARA (0.45) PPARAPPARGMMP1LMNAL3MBTL1
SCHEMBL6150658 0.84 PPARA (0.45) PPARAPPARGLMNAL3MBTL1PPARD
SCHEMBL5363966 0.82 PTPN1 (0.45) PPARAPPARGL3MBTL1PPARDKMT2A
SCHEMBL14366348 0.80 PPARA (0.42) PPARAPPARGLMNAL3MBTL1ACACB
SCHEMBL6151412 0.79 CACNA1B (0.39) PPARAPPARG
SCHEMBL6150912 0.79 CACNA1B (0.39) PPARAPPARG
SCHEMBL5352421 0.78 PPARA (0.48) PPARAPPARGPPARD
SCHEMBL5428548 0.77 PPARA (0.36) PPARAPPARGLMNAL3MBTL1ACACB
SCHEMBL14366347 0.77 PPARA (0.36) PPARAPPARGLMNAL3MBTL1ACACB
SCHEMBL5379589 0.76 PPARG (0.54) PPARAPPARGLMNAL3MBTL1PPARD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517882-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-30 EP disclosed
WO-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed
WO-2004000789-A1 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-31 WO disclosed