SCHEMBL6151208

SCHEMBL6151208

CO[C@@H](Cc1ccc(OCC(=O)N(C)CCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.56
PPARA Q07869 10/20 0.56
PPARD Q03181 6/20 0.56
LTB4R Q15722 4/20 0.56
LTB4R2 Q9NPC1 4/20 0.56
MAPK1 P28482 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX5 P09917 1/20 0.50
HIF1A Q16665 1/20 0.47

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
SCHEMBL6661730 0.93 PPARG (0.57) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL3963060 0.87 PPARG (0.54) PPARGPPARAPPARDMAPK1SMN1; SMN2
SCHEMBL3963064 0.87 PPARG (0.54) PPARGPPARAPPARDMAPK1SMN1; SMN2
SCHEMBL6150234 0.86 PPARG (0.53) PPARGPPARAPPARDALOX5
SCHEMBL6150258 0.85 PPARA (0.54) PPARGPPARAPPARDMAPK1NPC1
SCHEMBL5721437 0.84 PPARG (0.54) PPARGPPARAPPARDALOX5
SCHEMBL6150621 0.84 PPARG (0.54) PPARGPPARAPPARDALOX5
SCHEMBL6151404 0.83 PPARA (0.52) PPARGPPARAPPARDMAPK1NPC1
SCHEMBL5358205 0.80 PPARA (0.56) PPARGPPARAPPARDMAPK1ALOX5
SCHEMBL3966640 0.80 PPARA (0.56) PPARGPPARAPPARDMAPK1ALOX5

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