SCHEMBL6661730

SCHEMBL6661730

CO[C@@H](Cc1ccc(OCC(=O)N(C)CCCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.57
PPARA Q07869 12/20 0.57
PPARD Q03181 8/20 0.57
MAPK1 P28482 1/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LTB4R Q15722 3/20 0.48
LTB4R2 Q9NPC1 3/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6151208 0.93 PPARG (0.56) PPARGPPARAPPARDMAPK1RAB9A
SCHEMBL6150258 0.88 PPARA (0.54) PPARGPPARAPPARDMAPK1RAB9A
SCHEMBL3963060 0.87 PPARG (0.54) PPARGPPARAPPARDMAPK1SMN1; SMN2
SCHEMBL3963064 0.87 PPARG (0.54) PPARGPPARAPPARDMAPK1SMN1; SMN2
SCHEMBL6151404 0.86 PPARA (0.52) PPARGPPARAPPARDMAPK1RAB9A
SCHEMBL6150621 0.84 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL5721437 0.84 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL6150234 0.82 PPARG (0.53) PPARGPPARAPPARD
SCHEMBL14392282 0.79 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL5382693 0.79 PPARG (0.79) PPARGPPARAPPARD

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-2004000789-A9 AMIDE LINKER PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2004-03-11 WO disclosed