SCHEMBL7370978

SCHEMBL7370978

C#C[C@]1(c2ccc(OC)c(OC3CCCC3)c2)CCC[C@@H](C(=O)O)C1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.68
PDE4B Q07343 20/20 0.68
PDE4C Q08493 20/20 0.68
PDE4D Q08499 20/20 0.68

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
SCHEMBL8332929 1.00 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL7370981 1.00 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL7422057 0.91 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL8584461 0.91 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7424514 0.91 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL8328171 0.91 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7861047 0.91 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7363153 0.88 PDE4B (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL7359174 0.88 PDE4B (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL8476245 0.88 PDE4B (0.82) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869677-A 3,3-(disubstituted)cyclohexan-1-carboxylate monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-02-09 US disclosed
EP-0796097-A4 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-03-25 EP disclosed
US-5719184-A 3,3-(disubstituted)cyclohexan-1-carboxylate dimers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
EP-0796097-A1 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-24 EP disclosed
WO-1996019994-A1 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed