SCHEMBL5822692

SCHEMBL5822692

CCO/N=C(/COc1ccc(CC(OCC)C(=O)O)cc1)c1cc(-c2ccc(F)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 18/20 0.47
▸ PPARG P37231 15/20 0.47
▸ PPARD Q03181 9/20 0.47
▸ PTPN1 P18031 2/20 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
SCHEMBL5822695 1.00 PPARA (0.47) PPARAPPARGPPARDPTPN1
SCHEMBL5798491 0.92 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL5798489 0.92 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL5813111 0.91 PPARG (0.52) PPARAPPARGPPARD
SCHEMBL5813107 0.91 PPARG (0.52) PPARAPPARGPPARD
SCHEMBL5799336 0.86 PPARG (0.50) PPARAPPARGPPARD
SCHEMBL5799421 0.86 PPARG (0.50) PPARAPPARGPPARD
SCHEMBL5799644 0.84 PPARG (0.43) PPARAPPARGPTPN1
SCHEMBL5799598 0.84 PPARG (0.43) PPARAPPARGPTPN1
SCHEMBL5802170 0.79 PPARG (0.42) PPARAPPARGPTPN1

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
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