SCHEMBL5813111

SCHEMBL5813111

CCON=C(COc1cccc(CC(OCC)C(=O)O)c1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.52
▸ PPARA Q07869 18/20 0.52
▸ PPARD Q03181 2/20 0.39

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
SCHEMBL5813107 1.00 PPARG (0.52) PPARGPPARAPPARD
SCHEMBL5799421 0.94 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL5799336 0.94 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL5799598 0.93 PPARG (0.43) PPARGPPARA
SCHEMBL5799644 0.93 PPARG (0.43) PPARGPPARA
SCHEMBL5822692 0.91 PPARA (0.47) PPARGPPARAPPARD
SCHEMBL5822695 0.91 PPARA (0.47) PPARGPPARAPPARD
SCHEMBL5802172 0.88 PPARG (0.42) PPARGPPARA
SCHEMBL5802170 0.88 PPARG (0.42) PPARGPPARA
SCHEMBL5798489 0.85 PPARA (0.55) PPARGPPARAPPARD

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
Send feedback