SCHEMBL5801722

SCHEMBL5801722

CCON=C(COc1ccc(CC(OCC)C(=O)O)cc1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.53
PPARG P37231 16/20 0.53
PPARD Q03181 15/20 0.53

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
SCHEMBL5801720 1.00 PPARA (0.53) PPARAPPARGPPARD
SCHEMBL5801764 0.90 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL5801766 0.90 PPARA (0.61) PPARAPPARGPPARD
SCHEMBL5798078 0.88 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL5800229 0.88 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL5798082 0.88 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL5800234 0.88 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL5801759 0.87 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL5801762 0.87 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL5801758 0.86 PPARA (0.53) PPARAPPARGPPARD

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-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 claimed
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