SCHEMBL8769667

SCHEMBL8769667

COc1ccc(CC(CO)Cc2ccccc2)cc1OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.64
PDE4D Q08499 3/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
RECQL P46063 1/20 0.52

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
SCHEMBL7341124 0.81 PDE4A (0.78) PDE4APDE4DPDE4BPDE4C
SCHEMBL7341287 0.80 PDE4A (0.62) PDE4APDE4DPDE4BPDE4C
SCHEMBL2958828 0.79 RECQL (0.60) PDE4APDE4DPDE4BPDE4CRECQL
SCHEMBL7332241 0.78 PDE4A (0.57) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL7365454 0.78 PDE4A (0.60) PDE4APDE4DPDE4BPDE4C
Bromide SCHEMBL7370237 0.78 PDE4A (0.60) PDE4APDE4DPDE4BPDE4C
SCHEMBL14578975 0.78 PDE4A (1.00) PDE4APDE4DPDE4BPDE4C
SCHEMBL27558495 0.77 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL9266969 0.77 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CRECQL
SCHEMBL7420229 0.77 LDHA (0.60) PDE4APDE4DPDE4BPDE4CRECQL

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
EP-0640070-B1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-09-10 EP disclosed