SCHEMBL6902254

SCHEMBL6902254

COc1ccc(C(C=O)c2ccc(Br)cc2)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.50
PDE4B Q07343 10/20 0.47
PDE4D Q08499 8/20 0.46
PDE4C Q08493 7/20 0.46

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
SCHEMBL7361147 0.82 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL7378216 0.80 PDE4A (0.54) PDE4APDE4BPDE4DPDE4C
SCHEMBL129356 0.78 PDE4A (0.59) PDE4APDE4BPDE4DPDE4C
SCHEMBL5704271 0.77 PDE4A (0.57) PDE4APDE4BPDE4DPDE4C
SCHEMBL4826210 0.77 PDE4A (0.63) PDE4APDE4BPDE4DPDE4C
SCHEMBL6906296 0.76 PDE4A (0.48) PDE4APDE4BPDE4DPDE4C
SCHEMBL13799356 0.76 PDE4A (0.61) PDE4APDE4BPDE4DPDE4C
SCHEMBL130569 0.75 PDE4A (0.55) PDE4APDE4BPDE4DPDE4C
SCHEMBL8357145 0.75 PDE4A (0.52) PDE4APDE4BPDE4DPDE4C
SCHEMBL8585720 0.75 PDE4A (0.61) PDE4APDE4BPDE4DPDE4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202955-A4 1,4-SUBSTITUTED 4,4-DIARYL CYCLOHEXANES SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-6518306-B1 PDE4 inhibitors particularly in regards to treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed
EP-1202955-A2 1,4-SUBSTITUTED 4,4-DIARYL CYCLOHEXANES SmithKline Beecham Corporation (US) 2002-05-08 EP disclosed
WO-2001010385-A2 1,4-SUBSTITUTED 4,4-DIARYL CYCLOHEXANES SMITHKLINE BEECHAM CORPORATION (US) 2001-02-15 WO disclosed