SCHEMBL6148908

SCHEMBL6148908

CO[C@@H](Cc1cccc(OC(C)CC(=O)NCc2cccc(-c3ccccc3)c2)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.49
PPARG P37231 5/20 0.46
PPARA Q07869 4/20 0.46
POLB P06746 2/20 0.46
PPARD Q03181 1/20 0.45
TACR1 P25103 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AURKA O14965 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6150840 0.83 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6656765 0.81 PPARA (0.46) PPARGPPARAPPARDTACR1
SCHEMBL5358284 0.80 PPARA (0.45) AOC3PPARGPPARAPOLBPPARD
SCHEMBL6150826 0.80 EPHX2 (0.44) ALDH1A1HPGD
SCHEMBL6150739 0.79 PPARA (0.53) PPARGPPARAPOLBTACR1L3MBTL1
SCHEMBL6149147 0.78 PPARG (0.42) PPARGPPARAPPARDALDH1A1HTT
SCHEMBL6150725 0.78 ALDH1A1 (0.49) PPARGPPARAPOLBALDH1A1HTT
SCHEMBL6149805 0.78 HPGD (0.51) PPARGPPARAHTTL3MBTL1HPGD
SCHEMBL5390420 0.75 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL6149560 0.75 CTSD (0.41) PPARGPPARAPOLBPPARDALDH1A1

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 4 patents. 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 claimed
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