SCHEMBL6151270

SCHEMBL6151270

CCN(C(=O)COc1ccc(C[C@H](OC)C(=O)O)cc1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.50
PPARG P37231 13/20 0.50
PPARD Q03181 11/20 0.50
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
OXTR P30559 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
SCHEMBL5396376 0.86 PPARA (0.52) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL6148806 0.84 MEN1 (0.61) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5364857 0.81 PPARA (0.65) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL3963061 0.80 MEN1 (0.51) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL3963053 0.80 MEN1 (0.51) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL5024524 0.80 MEN1 (0.52) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5360733 0.80 GAA (0.59) PPARAPPARGPPARDLMNA
SCHEMBL5027071 0.79 MEN1 (0.51) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5360759 0.77 PPARA (0.49) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5364021 0.76 TRPM8 (0.48) PPARAPPARGPPARDLMNAMEN1

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