SCHEMBL5315515

SCHEMBL5315515

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

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL5312074 1.00 PPARG (0.31) PPARGPPARATRPA1ALDH1A1HCAR2
SCHEMBL5312077 1.00 PPARG (0.31) PPARGPPARATRPA1ALDH1A1HCAR2
SCHEMBL5799134 0.83 TRPA1 (0.38) TRPA1ALDH1A1
SCHEMBL5799132 0.83 TRPA1 (0.38) TRPA1ALDH1A1
SCHEMBL5801514 0.83 PPARG (0.33) PPARGPPARAALDH1A1HCAR2RXRA
SCHEMBL5801512 0.83 PPARG (0.33) PPARGPPARAALDH1A1HCAR2RXRA
SCHEMBL11114851 0.82 FFAR3 (0.37) PPARGPPARAALDH1A1HCAR2RXRA
SCHEMBL11114847 0.82 FFAR3 (0.37) PPARGPPARAALDH1A1HCAR2RXRA
SCHEMBL5798093 0.79 ALDH1A1 (0.41) TRPA1ALDH1A1FAAH
SCHEMBL8715317 0.74

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
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed
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