SCHEMBL6216367

SCHEMBL6216367

CCC(CC)c1nn(-c2ccc(Br)cn2)cc1CCCOc1c(OC)cccc1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
HIF1A Q16665 1/20 0.32
PDE10A Q9Y233 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ALOX5 P09917 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FPR1 P21462 1/20 0.31

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
SCHEMBL6218384 0.93 PPARG (0.33) PTPN1PPARGPPARA
SCHEMBL6035857 0.92 PTPN1 (0.41) PTPN1PPARGPPARA
SCHEMBL6254961 0.92 MAPT (0.35) PTPN1SMN1; SMN2GAAMAPTHIF1A
SCHEMBL6034666 0.90 PPARG (0.36) PTPN1SMN1; SMN2MAPTPDE10AALDH1A1
SCHEMBL6232097 0.88 HCRTR1 (0.38) PTPN1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1634795 0.88 PPARG (0.42) SMN1; SMN2GAANPC1PKMNFKB1
SCHEMBL6250714 0.86 GAA (0.35) PTPN1SMN1; SMN2GAAMAPTHIF1A
SCHEMBL6217948 0.85 PPARG (0.34) PTPN1MAPTALDH1A1NPC1RAB9A
SCHEMBL6221713 0.84 KDM4E (0.31) PTPN1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL6232363 0.83 PPARG (0.33) PTPN1PDE10APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP claimed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO claimed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO claimed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed