SCHEMBL6151404

SCHEMBL6151404

CCCCCCN(C)C(=O)COc1ccc(C[C@H](OC)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.52
PPARG P37231 10/20 0.52
PPARD Q03181 8/20 0.52
MAPK1 P28482 1/20 0.44
PLA2G4B P0C869 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6150258 0.95 PPARA (0.54) PPARAPPARGPPARDMAPK1NPC1
SCHEMBL6661730 0.86 PPARG (0.57) PPARAPPARGPPARDMAPK1NPC1
SCHEMBL6151208 0.83 PPARG (0.56) PPARAPPARGPPARDMAPK1NPC1
SCHEMBL5381217 0.81 PPARA (0.72) PPARAPPARGPPARDPLA2G4B
SCHEMBL5390569 0.79 PPARA (0.78) PPARAPPARGPPARD
SCHEMBL5721437 0.79 PPARG (0.54) PPARAPPARGPPARD
SCHEMBL6150621 0.79 PPARG (0.54) PPARAPPARGPPARD
SCHEMBL3963793 0.79 TSHR (0.54) PPARAPPARGPPARD
SCHEMBL5353330 0.79 TSHR (0.54) PPARAPPARGPPARD
SCHEMBL5361731 0.79 TSHR (0.54) PPARAPPARGPPARD

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