SCHEMBL5397484

SCHEMBL5397484

CCOC(=O)c1cn(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)nc1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.48
PPARA Q07869 8/20 0.46
PPARG P37231 5/20 0.46
MAPT P10636 4/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
MMP13 P45452 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
SCHEMBL5372050 0.87 RAB9A (0.46) PPARAMAPTTSHRKDM4EALDH1A1
SCHEMBL7546657 0.87 PPARA (0.46) FFAR1PPARAPPARGMAPTTSHR
SCHEMBL5380800 0.86 PPARA (0.53) FFAR1PPARAPPARGMAPT
SCHEMBL5385326 0.84 FFAR1 (0.49) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL6589707 0.84 FFAR1 (0.49) FFAR1PPARAPPARGMAPTKDM4E
SCHEMBL6589710 0.83 FFAR1 (0.50) FFAR1PPARAPPARGMAPTKDM4E
SCHEMBL5379026 0.83 FFAR1 (0.48) FFAR1PPARAPPARGMAPTKDM4E
SCHEMBL5377697 0.83 FFAR1 (0.61) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5385319 0.83 PPARA (0.49) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5376806 0.83 FFAR1 (0.48) FFAR1PPARAPPARGMAPTKDM4E

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