SCHEMBL5801718

SCHEMBL5801718

CCCON=C(COc1ccc(CC(OCC)C(=O)O)cc1)c1nnc(-c2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 19/20 0.49
▸ PPARG P37231 16/20 0.49
▸ PPARD Q03181 7/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5814626 1.00 PPARA (0.49) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL5802240 0.94 PPARA (0.49) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL5815429 0.94 PPARA (0.49) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL5809648 0.93 KDM4E (0.48) PPARAPPARGPPARDKDM4EALDH1A1
SCHEMBL5823882 0.93 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL5798061 0.93 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL5798063 0.93 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL5823886 0.93 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL5824242 0.91 PPARG (0.47) PPARAPPARGPPARD
SCHEMBL5824239 0.91 PPARG (0.47) 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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