SCHEMBL4339029

SCHEMBL4339029

CNCC(O)c1ccc(O)c(OC(=O)c2ccccc2OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
KDM4E B2RXH2 7/20 0.49
HSD17B10 Q99714 5/20 0.49
CYP1A2 P05177 3/20 0.49
LMNA P02545 3/20 0.49
CYP2C9 P11712 1/20 0.49
TDP1 Q9NUW8 5/20 0.48
ADRB2 P07550 5/20 0.48
HIF1A Q16665 5/20 0.48
TSHR P16473 4/20 0.48
PTGS2 P35354 4/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
ADRB1 P08588 3/20 0.48
ADRA2A P08913 3/20 0.48
ADRB3 P13945 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 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
SCHEMBL7272101 0.78 KDM4E (0.62) KDM4EHSD17B10CYP1A2LMNACYP2C9
SCHEMBL23318966 0.78 HIF1A (0.72) HTTKDM4EHSD17B10CYP1A2LMNA
SCHEMBL23040669 0.77 KDM4E (0.60) KDM4EHSD17B10CYP1A2LMNACYP2C9
SCHEMBL18740836 0.76 KDM4E (0.57) KDM4EHSD17B10CYP1A2LMNACYP2C9
SCHEMBL23318541 0.76 ADRB2 (0.57) KDM4EHSD17B10CYP1A2LMNACYP2C9
SCHEMBL18740843 0.76 SLC22A3 (0.56) KDM4EHSD17B10CYP1A2LMNATDP1
SCHEMBL31748897 0.75 HIF1A (0.81) KDM4EHSD17B10CYP1A2LMNACYP2C9
SCHEMBL10481814 0.75 HIF1A (0.81) KDM4EHSD17B10CYP1A2LMNACYP2C9
SCHEMBL4632760 0.74 ADRB2 (0.52) CYP1A2TDP1ADRB2HIF1ATSHR
SCHEMBL17253654 0.74 TSHR (0.67) KDM4EHSD17B10CYP1A2LMNATDP1

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-2021502-A1 NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY Oy Jurilab Ltd (FI) 2009-02-11 EP disclosed
WO-2007128884-A1 NOVEL GENES AND MARKERS IN TYPE 2 DIABETES AND OBESITY OY JURILAB LTD (FI) 2007-11-15 WO disclosed