SCHEMBL6150313

SCHEMBL6150313

CO[C@@H](Cc1ccc(OC(C)CC(=O)NCCc2ccccc2F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
PPARG P37231 16/20 0.45
PPARA Q07869 16/20 0.45
PPARD Q03181 3/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL6658842 0.90 PPARA (0.47) KMT2APPARGPPARAPPARD
SCHEMBL6150634 0.87 PPARA (0.44) PPARGPPARAPPARDOPRM1OPRD1
SCHEMBL6150164 0.83 MTNR1A (0.44) KMT2APPARGPPARAPPARDMEN1
SCHEMBL6150597 0.82 PPARA (0.47) KMT2APPARGPPARAMEN1
SCHEMBL6658216 0.81 PPARA (0.51) KMT2APPARGPPARAPPARDMEN1
SCHEMBL6150925 0.80 PPARA (0.47) PPARGPPARAPPARD
SCHEMBL6660674 0.79 PPARA (0.48) PPARGPPARAPPARD
SCHEMBL5360529 0.79 KMT2A (0.50) KMT2APPARGPPARAPPARDOPRM1
SCHEMBL5361713 0.77 PPARA (0.48) KMT2APPARGPPARAPPARD
SCHEMBL5361717 0.77 PPARA (0.48) KMT2APPARGPPARAPPARD

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