SCHEMBL7858785

SCHEMBL7858785

COc1ccc(C2(CO)CCC(OC)(OC)CC2)cc1OC1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.73
PDE4A P27815 19/20 0.73
PDE4C Q08493 18/20 0.73
PDE4D Q08499 18/20 0.73

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
SCHEMBL7175742 0.90 PDE4B (0.80) PDE4BPDE4APDE4CPDE4D
SCHEMBL7858810 0.88 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL8676636 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7422177 0.85 PDE4B (1.00) PDE4BPDE4APDE4CPDE4D
SCHEMBL7191163 0.82 PDE4B (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL7323739 0.81 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL7869812 0.80 PDE4B (0.76) PDE4BPDE4APDE4CPDE4D
SCHEMBL7858781 0.79 PDE4A (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL7869861 0.79 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL7864287 0.79 PDE4B (0.75) 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