SCHEMBL6656765

SCHEMBL6656765

CO[C@@H](Cc1cccc(OC(C)CC(=O)NCc2cc(F)cc(C(F)(F)F)c2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.46
PPARG P37231 6/20 0.45
TACR1 P25103 2/20 0.45
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTOR P42345 1/20 0.40
PPARD Q03181 2/20 0.39
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6150739 0.85 PPARA (0.53) PPARAPPARGTACR1KDM4EMEN1
SCHEMBL5358829 0.84 PPARA (0.47) PPARAPPARGKDM4EMEN1KMT2A
SCHEMBL6150158 0.82 PPARA (0.49) PPARAPPARGTACR1PPARD
SCHEMBL6148908 0.81 AOC3 (0.49) PPARAPPARGTACR1PPARD
SCHEMBL6658216 0.78 PPARA (0.51) PPARAPPARGTACR1KDM4EMEN1
SCHEMBL6150826 0.75 EPHX2 (0.44) KMT2A
SCHEMBL6150725 0.73 ALDH1A1 (0.49) PPARAPPARGMEN1KMT2A
SCHEMBL6149147 0.73 PPARG (0.42) PPARAPPARGPPARD
SCHEMBL6149560 0.72 CTSD (0.41) PPARAPPARGMEN1KMT2APPARD
SCHEMBL6149805 0.71 HPGD (0.51) PPARAPPARGLMNA

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