SCHEMBL28870892

SCHEMBL28870892

C=CC(=O)Oc1ccc(OC2CCCC2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.48
PDE4B Q07343 11/20 0.47
PDE4D Q08499 10/20 0.47
PDE4A P27815 8/20 0.47
PDE4C Q08493 8/20 0.47
POLB P06746 1/20 0.46
MAPK14 Q16539 1/20 0.44
RECQL P46063 1/20 0.44
PDE3A Q14432 1/20 0.43

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
SCHEMBL28870890 0.95 PDE4B (0.53) HIF1APDE4BPDE4DPDE4APDE4C
SCHEMBL27529057 0.83 CA12 (0.53)
SCHEMBL4632439 0.79 PDE4D (0.42) HIF1APDE4BPDE4DPDE4APDE4C
SCHEMBL28073562 0.77 PTGS1 (0.58)
SCHEMBL17397335 0.76 POLB (0.55) HIF1APDE4BPDE4DPDE4APDE4C
SCHEMBL24967198 0.76 THRA (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL7417740 0.76 PDE4B (0.50) HIF1APDE4BPDE4DPDE4APDE4C
SCHEMBL8684352 0.76 PDE5A (0.50) HIF1APDE4BPDE4DPDE4APDE4C
SCHEMBL28133908 0.74 PARP15 (0.47) HIF1APDE4BPDE4DPDE4APDE4C
SCHEMBL6767181 0.74 TRPA1 (0.53) HIF1APOLB

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