SCHEMBL6198744

SCHEMBL6198744

CCOc1ccc(OC(C)=O)cc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.54
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.53
THRB P10828 1/20 0.53
HSD17B10 Q99714 1/20 0.52
PTPN1 P18031 1/20 0.50
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48

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
SCHEMBL6702501 0.90 PTPN1 (0.57) ALDH1A1KDM4EMAPTPTPN1SMN1; SMN2
SCHEMBL18066376 0.89 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMRGPRX4MAPT
SCHEMBL27539388 0.88 KDM4E (0.57) ALDH1A1KDM4ELMNAMRGPRX4MAPT
SCHEMBL4627636 0.88 NPC1 (0.60) KDM4EMRGPRX4NPC1HPGDRAB9A
SCHEMBL6615190 0.87 KDM4E (0.54) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL4363943 0.85 MAOB (0.57) ALDH1A1PTPN1NPC1HPGDRAB9A
SCHEMBL8000403 0.85 MAOB (0.57) ALDH1A1PTPN1SMN1; SMN2MEN1KMT2A
SCHEMBL15094958 0.84 KDM4E (0.53) ALDH1A1KDM4ELMNAMRGPRX4MAPT
SCHEMBL18985160 0.83 FFAR4 (0.59) ALDH1A1KDM4EMRGPRX4MAPTPTPN1
SCHEMBL1315571 0.83 KDM4E (0.68) ALDH1A1KDM4EMAPTHSD17B10PTPN1

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