SCHEMBL6219261

SCHEMBL6219261

COc1cccc(OC(C)=O)c1OCCCc1cn(-c2ccc(Cl)cn2)nc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
GAA P10253 1/20 0.35
PTPN1 P18031 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PDE10A Q9Y233 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PDE4D Q08499 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL6253513 0.91 PTPN1 (0.43) PPARGGAAPTPN1SMN1; SMN2ALDH1A1
SCHEMBL6250714 0.90 GAA (0.35) GAAPTPN1SMN1; SMN2ALDH1A1PDE10A
SCHEMBL6217340 0.87 PPARG (0.38) PPARGPTPN1SMN1; SMN2ALDH1A1PDE10A
SCHEMBL6035983 0.87 PPARG (0.48) PPARGGAASCN9ANPC1EGLN1
SCHEMBL6034666 0.86 PPARG (0.36) PPARGPTPN1SMN1; SMN2ALDH1A1PDE10A
SCHEMBL6215454 0.81 PTPN1 (0.43) PPARGGAAPTPN1ALDH1A1MCL1
SCHEMBL6221713 0.79 KDM4E (0.31) PPARGPTPN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6215721 0.79 PPARG (0.35) PPARGPTPN1PDE10AMCL1
SCHEMBL6035698 0.78 ABCB1 (0.38) PPARGGAAALDH1A1MCL1
SCHEMBL6232363 0.78 PPARG (0.33) PPARGPTPN1PDE10AMCL1

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 3 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 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