SCHEMBL28870893

SCHEMBL28870893

C=C(C(=O)O)c1ccc(OC2CCCC2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.57
PDE4D Q08499 13/20 0.57
PDE4A P27815 11/20 0.57
PDE4C Q08493 11/20 0.57
MAPK14 Q16539 1/20 0.54

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
SCHEMBL28870891 0.95 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL6799815 0.86 PDE4B (0.71) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL16544966 0.83 PDE4B (0.67) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7384113 0.83 PDE4B (0.62) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL7443746 0.83 PDE4D (0.61) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL563069 0.82 CA12 (0.67) PDE4BPDE4DPDE4APDE4C
SCHEMBL30555836 0.82 CA12 (0.67) PDE4BPDE4DPDE4APDE4C
SCHEMBL7364684 0.82 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL30009845 0.80 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL1028427 0.80 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14

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-112209848-B Cyclopentane-containing cinnamamide derivative with neuroprotective activity and preparation method thereof 中山大学 2022-10-25 CN disclosed