SCHEMBL5376983

SCHEMBL5376983

CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccccc4)sc3C)cc2)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.41
FFAR1 O14842 5/20 0.40
PPARD Q03181 1/20 0.40
PPARG P37231 7/20 0.39
PPARA Q07869 6/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
FFAR4 Q5NUL3 3/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 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
SCHEMBL5372359 0.91 FFAR1 (0.47) FFAR1PPARDPPARGPPARAFFAR4
SCHEMBL5377258 0.85 ALDH1A1 (0.48) FFAR1PPARAFFAR4NPC1PKM
SCHEMBL5397157 0.84 FFAR1 (0.59) FFAR1PPARDPPARGPPARA
SCHEMBL5372016 0.83 L3MBTL1 (0.42) FFAR1FFAR4NPC1PKMRAB9A
SCHEMBL5377364 0.83 FFAR1 (0.41) FFAR1TRPM8FFAR4CYP4F2CYP4A11
SCHEMBL5385880 0.82 ALDH1A1 (0.46) FFAR1PPARAFFAR4NPC1PKM
SCHEMBL5385157 0.82 FFAR1 (0.44) FFAR1FFAR4CYP4F2CYP4A11
SCHEMBL5377471 0.82 FFAR1 (0.40) FFAR1TRPM8FFAR4SMN1; SMN2CYP4F2
SCHEMBL5377809 0.82 FFAR1 (0.40) FFAR1FFAR4L3MBTL1CYP4F2CYP4A11
SCHEMBL5385770 0.81 ALOX5AP (0.43) FFAR1FFAR4CYP4F2CYP4A11

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