SCHEMBL5810162

SCHEMBL5810162

CCO/N=C(\COc1cccc(CC(OCC)C(=O)OCC)c1)c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.41
▸ PPARG P37231 6/20 0.40
▸ PPARA Q07869 6/20 0.40
▸ HSD17B10 Q99714 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CETP P11597 2/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5810168 1.00 POLB (0.41) POLBPPARGPPARAHSD17B10KDM4E
SCHEMBL5815263 0.95 POLB (0.41) POLBPPARGPPARAHSD17B10KDM4E
SCHEMBL5815262 0.95 POLB (0.41) POLBPPARGPPARAHSD17B10KDM4E
SCHEMBL5809650 0.93 PPARG (0.41) PPARGPPARAHSD17B10KDM4EMAPT
SCHEMBL5815267 0.93 PPARG (0.48) POLBPPARGPPARAKDM4E
SCHEMBL5815275 0.93 PPARG (0.48) POLBPPARGPPARAKDM4E
SCHEMBL5809209 0.90 POLB (0.44) POLBPPARGPPARAHSD17B10KDM4E
SCHEMBL5814066 0.88 PPARG (0.46) POLBPPARGPPARAKDM4E
SCHEMBL5814061 0.88 PPARG (0.46) POLBPPARGPPARAKDM4E
SCHEMBL5812488 0.88 PPARG (0.40) PPARGPPARAHSD17B10KDM4EMAPT

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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