SCHEMBL4187136

SCHEMBL4187136

CCC(C)(Sc1cccc(OCCc2ccc(Cl)cc2)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.47
PPARA Q07869 6/20 0.47
PPARD Q03181 5/20 0.47
SIRT2 Q8IXJ6 1/20 0.44
FFAR1 O14842 2/20 0.42
NR4A2 P43354 1/20 0.41
SLC2A1 P11166 1/20 0.41
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
SLC13A5 Q86YT5 1/20 0.39
PTPN1 P18031 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39

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 0.88 PPARG (0.49) PPARGPPARAPPARDSIRT2FFAR1
SCHEMBL4186598 0.86 PPARA (0.56) PPARGPPARAPPARDFFAR1
SCHEMBL4192840 0.86 NR4A2 (0.44) PPARGPPARASIRT2NR4A2
SCHEMBL4191214 0.86 ADAM17 (0.43) PPARGPPARAPPARDFFAR1SLC13A5
SCHEMBL3383701 0.81 SIRT2 (0.47) PPARGPPARAPPARDSIRT2FFAR1
SCHEMBL4193294 0.77 PPARG (0.52) PPARGPPARAPPARDSIRT2FFAR1
SCHEMBL4191222 0.75 PPARG (0.46) PPARGPPARAPPARDFFAR1SLC13A5
SCHEMBL4191237 0.74 PPARG (0.45) PPARGPPARAPPARD
SCHEMBL4184977 0.74 BCL2 (0.47) PPARGPPARAPPARDNR4A2PTGES
SCHEMBL4194987 0.74 NR4A2 (0.46) NR4A2

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