SCHEMBL6151259

SCHEMBL6151259

COC(=O)[C@H](Cc1cccc(OC(C)CC(=O)O)c1)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
EPOR P19235 1/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
FFAR1 O14842 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
TAAR1 Q96RJ0 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARD Q03181 1/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6151412 0.85 CACNA1B (0.39) PTPN1PPARGPPARAMTNR1AMTNR1B
SCHEMBL6150912 0.85 CACNA1B (0.39) PTPN1PPARGPPARAMTNR1AMTNR1B
SCHEMBL5358773 0.82 LMNA (0.55) PPARGPPARAFFAR1ALDH1A1PPARD
SCHEMBL5364045 0.80 EPOR (0.54) PTPN1EPORPPARGPPARAFFAR1
SCHEMBL5357860 0.78 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL5395073 0.77 PPARG (0.43) PTPN1PPARGPPARAALDH1A1PPARD
SCHEMBL7150900 0.76 SRR (0.56) PTPN1PPARGPPARAALDH1A1PPARD
SCHEMBL5383333 0.76 MAPK1 (0.44) PTPN1PPARGPPARAMTNR1AMTNR1B
SCHEMBL14366607 0.76 MAPK1 (0.44) PTPN1PPARGPPARAMTNR1AMTNR1B
SCHEMBL6150658 0.76 PPARA (0.45) PPARGPPARAPPARD

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