SCHEMBL5802118

SCHEMBL5802118

CCCO/N=C(/C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
LMNA P02545 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL5802121 1.00 PTGS2 (0.34) PTGS2PPARGPPARAALDH1A1HCAR2
SCHEMBL10526912 0.84 CES2 (0.46) PPARGPPARAALDH1A1
SCHEMBL10525099 0.84 CES2 (0.46) PPARGPPARAALDH1A1
SCHEMBL10526906 0.84 CES2 (0.46) PPARGPPARAALDH1A1
SCHEMBL11105180 0.81
SCHEMBL1721778 0.77 MAPT (0.48) ALDH1A1LMNA
SCHEMBL11110921 0.77 DGKA (0.41) PPARGPPARAALDH1A1
SCHEMBL11104748 0.77 DGKA (0.41) PPARGPPARAALDH1A1
SCHEMBL5801514 0.76 PPARG (0.33) PPARGPPARAALDH1A1HCAR2RXRA
SCHEMBL5801512 0.76 PPARG (0.33) PPARGPPARAALDH1A1HCAR2RXRA

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
WO-2006057503-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 WO disclosed