SCHEMBL6819663

SCHEMBL6819663

COC(=O)C1(C(=O)OC)CCC(C#N)(c2ccc(OC)c(OC3CCCC3)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.72
PDE4B Q07343 20/20 0.72
PDE4C Q08493 20/20 0.72
PDE4D Q08499 20/20 0.72

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
SCHEMBL6829290 0.90 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL6826639 0.90 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321654 0.89 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
Bicarbonate SCHEMBL4603657 0.86 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL7795020 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL5968484 0.85 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL30683833 0.85 PDE4A (0.80) PDE4APDE4BPDE4CPDE4D
SCHEMBL6546052 0.85 PDE4B (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL6823878 0.85 PDE4B (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL6545891 0.85 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D

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-1200388-A4 METHOD FOR PREPARING CYCLOHEXANE CARBOXYLIC ACIDS SMITHKLINE BEECHAM CORP (US) 2004-12-29 EP disclosed
US-6740765-B1 DECARBOXYLATING DIESTER SMITHKLINE BEECHAM CORPORATION 2004-05-25 US disclosed
EP-1200388-A1 METHOD FOR PREPARING CYCLOHEXANE CARBOXYLIC ACIDS SmithKline Beecham Corporation (US) 2002-05-02 EP disclosed
WO-2001010817-A1 METHOD FOR PREPARING CYCLOHEXANE CARBOXYLIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-15 WO disclosed