SCHEMBL8854698

SCHEMBL8854698

COc1ccc(C2(C#N)CCC(=O)C(C(N)=O)C2)cc1OCCl

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.48
PDE4A P27815 19/20 0.48
PDE4C Q08493 19/20 0.48
PDE4D Q08499 19/20 0.48

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
SCHEMBL7419008 0.89 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL11091127 0.81 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL7416606 0.80 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7467100 0.78 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7420726 0.78 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL8357212 0.76 PDE4A (0.70) PDE4BPDE4APDE4CPDE4D
SCHEMBL7466462 0.76 PDE4A (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL5703617 0.75 PDE4A (0.68) PDE4BPDE4APDE4CPDE4D
SCHEMBL8360415 0.74 PDE4A (0.67) PDE4BPDE4APDE4CPDE4D
SCHEMBL9121794 0.74 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D

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
US-5631286-A Compounds useful for treating allergic or inflammatory diseases SMITHKLINE BEECHAM CORPORATION (US) 1997-05-20 US disclosed