SCHEMBL5809209

SCHEMBL5809209

CCO/N=C(\COc1ccc(CC(OCC)C(=O)OCC)cc1)c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PPARG P37231 11/20 0.41
▸ PPARA Q07869 11/20 0.41
▸ PPARD Q03181 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMPD1 P17405 1/20 0.38

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
SCHEMBL5813524 0.95 POLB (0.46) POLBHSD17B10MAPTKDM4EALDH1A1
SCHEMBL5813522 0.95 POLB (0.46) POLBHSD17B10MAPTKDM4EALDH1A1
SCHEMBL5815227 0.92 PPARA (0.49) POLBPPARGPPARAPPARD
SCHEMBL5815701 0.90 PPARG (0.43) HSD17B10MAPTKDM4EALDH1A1TP53
SCHEMBL5815704 0.90 PPARG (0.43) HSD17B10MAPTKDM4EALDH1A1TP53
SCHEMBL5810162 0.90 POLB (0.41) POLBHSD17B10MAPTKDM4EALDH1A1
SCHEMBL5810168 0.90 POLB (0.41) POLBHSD17B10MAPTKDM4EALDH1A1
SCHEMBL5823882 0.88 PPARA (0.50) POLBPPARGPPARAPPARD
SCHEMBL5823886 0.88 PPARA (0.50) POLBPPARGPPARAPPARD
SCHEMBL5802258 0.87 PPARG (0.49) HSD17B10MAPTKDM4EALDH1A1TP53

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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