SCHEMBL2331285

SCHEMBL2331285

COc1ccc(C(=O)O)c2nc(C3CC4CCC3C4)n(C)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.45
PDE4A P27815 7/20 0.45
PDE4B Q07343 7/20 0.45
PDE4C Q08493 7/20 0.45
SLC6A3 Q01959 5/20 0.37
APEX1 P27695 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A4 P31645 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL1553629 0.80 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CMAPT
Hydrochloric Acid SCHEMBL8573929 0.79 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CAPEX1
SCHEMBL2335278 0.75 PBK (0.48) PDE4DPDE4APDE4BPDE4CSLC6A3
SCHEMBL8573926 0.72 PDE4A (0.67) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL1554931 0.71 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL1553952 0.70 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CMAPT
Hydrochloric Acid SCHEMBL8575508 0.70 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL2332188 0.66 PBK (0.52) PDE4DPDE4APDE4BPDE4CSLC6A3
SCHEMBL8575498 0.65 PDE4A (0.67) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL8605672 0.64 PDE4A (0.54) PDE4DPDE4APDE4BPDE4CKMT2A

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-2358365-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES Oncotherapy Science, Inc. (JP) 2011-08-24 EP disclosed
WO-2010058512-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2010-05-27 WO disclosed