SCHEMBL6201670

SCHEMBL6201670

CCOc1cc(CO)cc(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
MAOB P27338 3/20 0.51
LTB4R Q15722 3/20 0.50
LTB4R2 Q9NPC1 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4910012 0.91 MEN1 (0.62) MEN1KMT2ACYP4F2CYP4A11MAOB
SCHEMBL14601810 0.90 MEN1 (0.61) MEN1KMT2ACYP4F2CYP4A11MAOB
SCHEMBL13777298 0.89 SMN1; SMN2 (0.52) CYP4F2CYP4A11MAOBLTB4RLTB4R2
SCHEMBL3271153 0.88 CYP4F2 (0.61) MEN1KMT2ACYP4F2CYP4A11MAOB
SCHEMBL6035513 0.87 MAOB (0.65) MEN1KMT2ACYP4F2CYP4A11MAOB
SCHEMBL2938664 0.84 NQO1 (0.46) CYP4F2CYP4A11TSHRTP53PTGS2
SCHEMBL9454030 0.83 GRM5 (0.54) MEN1KMT2ACYP4F2CYP4A11MAOB
SCHEMBL2808909 0.83 GPBAR1 (0.58) MEN1KMT2ACYP4F2CYP4A11MAOB
SCHEMBL2814524 0.83 MAOB (0.51) MEN1KMT2ACYP4F2CYP4A11MAOB
SCHEMBL13434095 0.82 MAOB (0.73) CYP4F2CYP4A11MAOBLTB4RLTB4R2

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 2 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-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed