SCHEMBL6573161

SCHEMBL6573161

COC(Cc1ccc(OCCCOc2ccc(C(=O)c3ccc(OCCO)cc3)cc2)cc1)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.84
PPARG P37231 15/20 0.84
PPARD Q03181 12/20 0.84
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL5394964 1.00 PPARA (0.84) PPARAPPARGPPARDGAALMNA
SCHEMBL5381119 0.91 PPARG (1.00) PPARAPPARGPPARDGAALMNA
SCHEMBL5381122 0.91 PPARG (1.00) PPARAPPARGPPARDGAALMNA
SCHEMBL5374988 0.91 PPARA (0.75) PPARAPPARGPPARD
SCHEMBL5380050 0.90 PPARA (0.84) PPARAPPARGPPARDL3MBTL1
SCHEMBL5380384 0.90 PPARG (0.84) PPARAPPARGPPARDL3MBTL1
SCHEMBL5380404 0.90 PPARG (0.84) PPARAPPARGPPARDL3MBTL1
SCHEMBL5380055 0.90 PPARA (0.84) PPARAPPARGPPARDL3MBTL1
SCHEMBL5389427 0.89 PPARA (0.82) PPARAPPARGPPARDLMNA
SCHEMBL5400440 0.89 PPARA (0.82) PPARAPPARGPPARDLMNA

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
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed