SCHEMBL5358804

SCHEMBL5358804

CCO[C@H](Cc1ccc(OC(C)C(=O)N(C2CCCCC2)C(C)(C)C)cc1)C(=O)O.CCO[C@H](Cc1ccc(OC(C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.42
PPARG P37231 12/20 0.42
RAB9A P51151 1/20 0.39
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PPARD Q03181 2/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5905530 0.96 PPARA (0.41) PPARAPPARGRAB9APTPRFPTPN2
SCHEMBL5363076 0.89 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL5356972 0.86 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL5356968 0.86 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL5358800 0.80 PPARA (0.44) PPARAPPARGPTPRFPTPN2PTPN1
SCHEMBL5905529 0.77 PPARA (0.43) PPARAPPARGPTPRFPTPN2PTPN1
SCHEMBL5372956 0.75 PPARA (0.55) PPARAPPARGRAB9APPARD
SCHEMBL5372953 0.75 PPARA (0.55) PPARAPPARGRAB9APPARD
SCHEMBL5364304 0.74 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL5364302 0.74 PPARA (0.52) PPARAPPARGPPARD

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
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed