SCHEMBL5809174

SCHEMBL5809174

CCCCON=C(COc1ccc(CC(OCC)C(=O)O)cc1)c1nnc(-c2ccc(F)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 19/20 0.49
▸ PPARG P37231 18/20 0.49
▸ PPARD Q03181 4/20 0.44

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
SCHEMBL5809170 1.00 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL5798063 0.96 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL5798061 0.96 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL5812690 0.93 PPARG (0.45) PPARAPPARG
SCHEMBL5812693 0.93 PPARG (0.45) PPARAPPARG
SCHEMBL5813501 0.92 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL5813503 0.92 PPARG (0.44) PPARAPPARGPPARD
SCHEMBL5802258 0.89 PPARG (0.49) PPARAPPARG
SCHEMBL5801718 0.89 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL5814626 0.89 PPARA (0.49) 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
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