SCHEMBL4193294

SCHEMBL4193294

CC(C)(C(=O)O)c1cccc(OCCc2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 2/20 0.52
PKM P14618 1/20 0.50
PTPN1 P18031 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
MAP4K4 O95819 1/20 0.47
FFAR1 O14842 2/20 0.46
NR4A2 P43354 1/20 0.46
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
BCL2 P10415 1/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
SLC2A1 P11166 1/20 0.44

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
SCHEMBL3383238 0.80 PPARG (0.49) PPARGPPARDPPARAPTPN1SIRT2
SCHEMBL4187136 0.77 PPARG (0.47) PPARGPPARDPPARAPTPN1SIRT2
SCHEMBL4699232 0.77 GPR84 (0.52) PPARGPPARDPPARASIRT2FFAR1
SCHEMBL6036145 0.76 PKM (0.60) PKMCYP4F2CYP4A11NR4A2MAOB
SCHEMBL6383481 0.74 FFAR1 (0.52) PPARGPPARDPPARASIRT2FFAR1
SCHEMBL25689492 0.74 GPR84 (0.52) SIRT2MAOAMAOB
SCHEMBL14280732 0.73 AKR1C3 (0.48) PPARGPKMCYP4F2CYP4A11MAP4K4
SCHEMBL3383701 0.73 SIRT2 (0.47) PPARGPPARDPPARASIRT2FFAR1
SCHEMBL21331850 0.73 GPR84 (0.61) PPARGPPARDPPARAFFAR1MAOA
SCHEMBL11126665 0.72 SIRT2 (0.59) SIRT2MAOAMAOB

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-1572180-B1 USE OF ALPHA-PHENYLTHIOCARBOXYLIC ACIDS WITH SERUM-GLUCOSE-LOWERING AND SERUM-LIPID-LOWERING ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2009-02-25 EP claimed