SCHEMBL8475453

SCHEMBL8475453

COc1cc(O)c(C(=O)CCc2ccc(OC)c(OC)c2C/C=C(\C)CCC=C(C)C)c(O)c1CC=C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.56
▸ PPARD Q03181 4/20 0.56
▸ PPARA Q07869 4/20 0.56
▸ DNMT1 P26358 1/20 0.56
▸ SIRT5 Q9NXA8 1/20 0.56
▸ CTSL P07711 1/20 0.55
▸ CTSK P43235 2/20 0.54
▸ MAPT P10636 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ PTGES O14684 1/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ APP P05067 3/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ CNR2 P34972 1/20 0.46

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
SCHEMBL7192443 0.84 CTSK (0.73) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL7192447 0.84 CTSK (0.73) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL8146131 0.77 CTSK (0.50) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL7188131 0.76 CTSK (0.71) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL7188134 0.76 CTSK (0.71) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL25560675 0.73 PPARG (0.78) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL25560799 0.73 PPARG (0.78) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL29389477 0.72 PPARG (1.00) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL10039861 0.72 PPARG (1.00) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL28699738 0.72 MAOB (0.62) PPARGPPARDPPARADNMT1SIRT5

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
EP-2045247-A1 Compounds for the inhibition of histone deacetylase NatureWise Biotech & Medicals Corporation (TW) 2009-04-08 — — EP disclosed
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