SCHEMBL7864287

SCHEMBL7864287

COc1ccc(C2(C=O)CCC(OC)(OC)CC2)cc1OC1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.75
PDE4A P27815 17/20 0.75
PDE4C Q08493 16/20 0.75
PDE4D Q08499 16/20 0.75

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
SCHEMBL7181002 0.90 PDE4B (0.82) PDE4BPDE4APDE4CPDE4D
SCHEMBL7423821 0.86 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL8510408 0.85 PDE4B (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL8475654 0.83 PDE4A (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL7359794 0.83 PDE4A (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL7362543 0.82 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL7869812 0.80 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL6351319 0.79 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL7858781 0.79 PDE4A (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL7869861 0.79 PDE4B (0.73) 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
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed