SCHEMBL5813524

SCHEMBL5813524

CCCON=C(COc1ccc(CC(OCC)C(=O)OCC)cc1)c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ PPARG P37231 13/20 0.42
▸ PPARA Q07869 13/20 0.42
▸ HSD17B10 Q99714 2/20 0.40
▸ 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
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PPARD Q03181 1/20 0.37

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
SCHEMBL5813522 1.00 POLB (0.46) POLBPPARGPPARAHSD17B10KDM4E
SCHEMBL5809209 0.95 POLB (0.44) POLBPPARGPPARAHSD17B10KDM4E
SCHEMBL5823882 0.93 PPARA (0.50) POLBPPARGPPARAPPARD
SCHEMBL5823886 0.93 PPARA (0.50) POLBPPARGPPARAPPARD
SCHEMBL5802258 0.92 PPARG (0.49) PPARGPPARAHSD17B10KDM4EALDH1A1
SCHEMBL5809648 0.92 KDM4E (0.48) PPARGPPARAHSD17B10KDM4EALDH1A1
SCHEMBL5815262 0.91 POLB (0.41) POLBPPARGPPARAHSD17B10KDM4E
SCHEMBL5815263 0.91 POLB (0.41) POLBPPARGPPARAHSD17B10KDM4E
SCHEMBL5812690 0.88 PPARG (0.45) POLBPPARGPPARAHSD17B10KDM4E
SCHEMBL5812693 0.88 PPARG (0.45) POLBPPARGPPARAHSD17B10KDM4E

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
Send feedback