SCHEMBL29613183

SCHEMBL29613183

COCCCOc1cc(C2COC(C)(C)C2=O)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.42
PDE4B Q07343 5/20 0.42
PDE4D Q08499 5/20 0.42
PDE4C Q08493 4/20 0.42
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HTR2C P28335 6/20 0.38
HTR2B P41595 2/20 0.37
HTR2A P28223 2/20 0.37
REN P00797 2/20 0.37

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
SCHEMBL19252770 1.00 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CTP53
SCHEMBL21175971 0.87 SLC6A4 (0.36) PDE4APDE4BPDE4DPDE4CTP53
SCHEMBL29613172 0.80 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CTP53
SCHEMBL18425422 0.80 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CTP53
SCHEMBL19252806 0.78 HTR2C (0.42) PDE4APDE4BPDE4DPDE4CTP53
SCHEMBL19270708 0.78 NPC1 (0.39) PDE4APDE4BPDE4DPDE4CTP53
SCHEMBL18424220 0.77 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CTP53
SCHEMBL19252773 0.77 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL29613142 0.77 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CREN
SCHEMBL19259465 0.76 PDE4A (0.44) 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