SCHEMBL30598396

SCHEMBL30598396

COC(=O)C(=CO)Oc1cc(C2CCCC2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.39
PDE4A P27815 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
ACMSD Q8TDX5 2/20 0.36
QDPR P09417 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL29106882 1.00 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL29890735 1.00 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL29891091 0.99 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL27082810 0.99 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL29913621 0.89 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL22488380 0.89 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL23795758 0.88 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL29913636 0.88 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL30293904 0.88 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DACMSD
SCHEMBL29767026 0.88 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DACMSD

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-117062794-A Chemical process 先正达农作物保护股份公司 2023-11-14 CN disclosed