SCHEMBL8218538

SCHEMBL8218538

C/C=C\C[C@@H]1CC(c2ccc(OC)c(OC)c2)=NN(C2CCN(CC(N)=O)CC2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.46
PDE4D Q08499 6/20 0.44
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL3452620 0.81 PDE4B (0.58) PDE4BPDE4DPDE4APDE4C
SCHEMBL19155628 0.78 PDE4B (0.54) PDE4BPDE4D
SCHEMBL4669064 0.77 PDE4B (0.51) PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL3451926 0.77 PDE4B (0.51) PDE4BPDE4DPDE4APDE4C
SCHEMBL6027642 0.75 PDE4D (0.74) PDE4BPDE4DPDE4APDE4C
SCHEMBL464942 0.74 PDE4D (0.72) PDE4BPDE4DPDE4APDE4C
SCHEMBL6725922 0.74 PDE4D (0.72) PDE4BPDE4DPDE4APDE4C
SCHEMBL19155555 0.74 PDE4D (0.72) PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL4013065 0.74 PDE4D (0.71) PDE4BPDE4DPDE4APDE4C
Hydrochloric Acid SCHEMBL6031622 0.71 PDE4B (0.49) PDE4BPDE4DPDE4APDE4C

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
WO-2008003701-A2 COMBINATION OF HMG-COA REDUCTASE INHIBITORS WITH PHOSPHODIESTERASE 4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PULMONARY DISEASES NYCOMED GMBH (DE) 2008-01-10 WO disclosed