SCHEMBL5990079

SCHEMBL5990079

Cc1cc(CCCOc2ccc(Cl)cc2Oc2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.57
PPARG P37231 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
FFAR4 Q5NUL3 5/20 0.49
FFAR1 O14842 5/20 0.49
PPARA Q07869 2/20 0.48
F2 P00734 2/20 0.48
ELANE P08246 2/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.47

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
SCHEMBL4522006 0.81 PPARD (0.65) PPARDPPARGL3MBTL1FFAR4FFAR1
SCHEMBL5989333 0.79 PPARD (0.50) PPARDPPARGL3MBTL1HTTPPARA
SCHEMBL5992347 0.79 PPARD (0.50) PPARDPPARGL3MBTL1HTTPPARA
SCHEMBL5990106 0.79 PPARG (0.73) PPARDPPARGFFAR4FFAR1PPARA
SCHEMBL5990103 0.79 PPARG (0.73) PPARDPPARGFFAR4FFAR1PPARA
SCHEMBL5989516 0.76 PPARG (0.65) PPARDPPARGL3MBTL1FFAR4FFAR1
SCHEMBL5989519 0.76 PPARG (0.65) PPARDPPARGL3MBTL1FFAR4FFAR1
Metaxon SCHEMBL28111499 0.75 PPARD (0.67) PPARDPPARGL3MBTL1HTTTP53
Metaxon SCHEMBL117877 0.75 TDP1 (0.70) PPARDPPARGHTTMAPTPTGDR2
SCHEMBL5988869 0.75 PPARD (0.58) PPARDPPARGL3MBTL1PPARAPTGDR2

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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed