SCHEMBL5814678

SCHEMBL5814678

CCO/N=C(\COc1cccc(CC(OCC)C(=O)O)c1)c1nnc(-c2cccc(Cl)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.48
▸ PPARA Q07869 17/20 0.48
▸ PPARD Q03181 2/20 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
SCHEMBL5814681 1.00 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL5809650 0.93 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL5809186 0.93 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL5809189 0.93 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL5815275 0.93 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL5815267 0.93 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL5814061 0.88 PPARG (0.46) PPARGPPARA
SCHEMBL5814066 0.88 PPARG (0.46) PPARGPPARA
SCHEMBL5815704 0.86 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL5815701 0.86 PPARG (0.43) 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