SCHEMBL9937862

SCHEMBL9937862

COCCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.85
PDE4C Q08493 18/20 0.85
PDE4A P27815 12/20 0.85
PDE4D Q08499 12/20 0.85
HTR2B P41595 1/20 0.85
TNF P01375 1/20 0.51

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
Apremilast SCHEMBL302671 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL29393225 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL15869341 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL3135372 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL29350625 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL29392757 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL7135116 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL15869338 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL29446192 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Apremilast SCHEMBL302992 0.92 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012083153-A1 OLIGOMER-CONTAINING APREMILAST MOIETY COMPOUNDS NEKTAR THERAPEUTICS (US) 2012-06-21 WO disclosed