SCHEMBL5372016

SCHEMBL5372016

CCOC(=O)CCc1cn(Cc2ccc(OCc3csc(C)n3)cc2)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PKM P14618 1/20 0.39
FFAR1 O14842 5/20 0.38
FFAR4 Q5NUL3 5/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5AP P20292 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALOX5 P09917 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL5377258 0.93 ALDH1A1 (0.48) L3MBTL1ALDH1A1CYSLTR2CYSLTR1PKM
SCHEMBL5377160 0.91 FFAR1 (0.46) L3MBTL1FFAR1FFAR4GAAHTT
SCHEMBL5385880 0.90 ALDH1A1 (0.46) L3MBTL1ALDH1A1CYSLTR2CYSLTR1PKM
SCHEMBL5381657 0.88 ALDH1A1 (0.42) L3MBTL1ALDH1A1CYSLTR2CYSLTR1PKM
SCHEMBL5374473 0.88 ALDH1A1 (0.42) ALDH1A1CYSLTR2CYSLTR1PKMFFAR1
SCHEMBL5377358 0.88 TP53 (0.46) L3MBTL1ALDH1A1PKMGAAHTT
SCHEMBL5377265 0.87 ALDH1A1 (0.41) L3MBTL1ALDH1A1CYSLTR2CYSLTR1PKM
SCHEMBL5382597 0.86 ALDH1A1 (0.41) ALDH1A1CYSLTR2CYSLTR1PKMFFAR1
SCHEMBL5385582 0.86 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYSLTR2CYSLTR1PKM
SCHEMBL5385770 0.85 ALOX5AP (0.43) CYSLTR2CYSLTR1FFAR1FFAR4ALOX5AP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed