SCHEMBL7514013

SCHEMBL7514013

COc1ccc(C2(C#Cc3ccc(NC(C)=O)cc3)CCC(=O)CC2)cc1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.61
PDE4D Q08499 19/20 0.61
PDE4A P27815 18/20 0.61
PDE4C Q08493 18/20 0.61
POLB P06746 1/20 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
SCHEMBL7380316 0.91 PDE4A (0.59) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL8510024 0.88 PDE4A (0.63) PDE4BPDE4DPDE4APDE4C
SCHEMBL8510530 0.87 PDE4A (0.58) PDE4BPDE4DPDE4APDE4C
SCHEMBL8511161 0.87 PDE4A (0.68) PDE4BPDE4DPDE4APDE4C
SCHEMBL8510031 0.86 PDE4A (0.64) PDE4BPDE4DPDE4APDE4C
SCHEMBL7378155 0.85 PDE4A (0.68) PDE4BPDE4DPDE4APDE4C
SCHEMBL7377710 0.85 PDE4A (0.70) PDE4BPDE4DPDE4APDE4C
SCHEMBL8507963 0.84 PDE4A (0.63) PDE4BPDE4DPDE4APDE4C
SCHEMBL7375913 0.83 PDE4A (0.68) PDE4BPDE4DPDE4APDE4C
SCHEMBL6170205 0.83 PDE4A (0.51) PDE4BPDE4DPDE4APDE4CPOLB

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-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 US claimed
EP-0800393-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-05-06 EP claimed
EP-0800393-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP claimed
WO-1996019995-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO claimed
US-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 US disclosed