SCHEMBL29613142

SCHEMBL29613142

COCCCOc1cc(C2OCC(C)(C)C2=O)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.42
PDE4B Q07343 6/20 0.42
PDE4D Q08499 6/20 0.42
PDE4C Q08493 5/20 0.42
REN P00797 5/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL19252773 1.00 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL19270700 0.78 PDE4A (0.38) PDE4APDE4BPDE4DPDE4C
SCHEMBL18425422 0.78 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL29613172 0.78 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL29613183 0.77 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL19252770 0.77 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL19259542 0.76 PDE4A (0.39) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL19252806 0.76 HTR2C (0.42) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL19252809 0.74 PDE4A (0.49) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL29613157 0.74 PDE4A (0.49) PDE4APDE4BPDE4DPDE4CREN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071447-B Tetracyclic pyridinone compounds as antiviral agents 诺华股份有限公司 2022-04-22 CN disclosed