SCHEMBL5812693

SCHEMBL5812693

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 16/20 0.45
▸ PPARA Q07869 15/20 0.45
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 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
SCHEMBL5812690 1.00 PPARG (0.45) PPARGPPARAKDM4EALDH1A1TP53
SCHEMBL5802258 0.96 PPARG (0.49) PPARGPPARAKDM4EALDH1A1TP53
SCHEMBL5809174 0.93 PPARA (0.49) PPARGPPARA
SCHEMBL5809170 0.93 PPARA (0.49) PPARGPPARA
SCHEMBL5809552 0.92 PPARG (0.38) PPARGPPARAKDM4EALDH1A1TP53
SCHEMBL5809549 0.92 PPARG (0.38) PPARGPPARAKDM4EALDH1A1TP53
SCHEMBL5798063 0.89 PPARA (0.51) PPARGPPARA
SCHEMBL5798061 0.89 PPARA (0.51) PPARGPPARA
SCHEMBL5813522 0.88 POLB (0.46) PPARGPPARAKDM4EALDH1A1TP53
SCHEMBL5813524 0.88 POLB (0.46) PPARGPPARAKDM4EALDH1A1TP53

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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