SCHEMBL5809650

SCHEMBL5809650

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.41
▸ PPARA Q07869 9/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ FBP1 P09467 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL5815701 0.93 PPARG (0.43) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL5810162 0.93 POLB (0.41) PPARGPPARAALDH1A1MAPTNPC1
SCHEMBL5810168 0.93 POLB (0.41) PPARGPPARAALDH1A1MAPTNPC1
SCHEMBL5814678 0.93 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL5815704 0.93 PPARG (0.43) PPARGPPARAPPARDALDH1A1MAPT
SCHEMBL5814681 0.93 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL5815263 0.89 POLB (0.41) PPARGPPARAALDH1A1MAPTNPC1
SCHEMBL5815262 0.89 POLB (0.41) PPARGPPARAALDH1A1MAPTNPC1
SCHEMBL5815267 0.86 PPARG (0.48) PPARGPPARAPPARDKDM4E
SCHEMBL5809186 0.86 PPARA (0.51) 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
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