SCHEMBL7363476

SCHEMBL7363476

COc1ccc(C2(C#Cc3ccncc3)CCC(C(=O)O)CC2)cc1OC1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.69
▸ PDE4A P27815 19/20 0.69
▸ PDE4C Q08493 19/20 0.69
▸ PDE4D Q08499 19/20 0.69

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
SCHEMBL7371833 1.00 PDE4B (0.69) PDE4BPDE4APDE4CPDE4D
SCHEMBL7356382 0.92 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL7356387 0.92 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL7363837 0.92 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL8472314 0.92 PDE4B (0.73) PDE4BPDE4APDE4CPDE4D
SCHEMBL8330022 0.90 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL7404561 0.90 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL8330028 0.90 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL6172674 0.89 PDE4A (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL6172676 0.89 PDE4A (0.52) 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 10 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 claimed
US-5990119-A 1,4,4-(trisubstituted)cyclohexane monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-11-23 — — US disclosed
US-5869677-A 3,3-(disubstituted)cyclohexan-1-carboxylate monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-02-09 — — US disclosed
US-5863926-A 4,4-(disubstituted)cyclohexan-1-carboxylate monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-26 — — US disclosed
EP-0796096-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-04-29 — — EP disclosed
EP-0796097-A4 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-03-25 — — EP disclosed
EP-0796096-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-24 — — EP 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
WO-1996019990-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-CARBOXYLATE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 — — WO disclosed
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