SCHEMBL9977580

SCHEMBL9977580

CCOc1cc(C(CN)N2C(=O)c3ccccc3C2=O)ccc1OC

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.78
PDE4B Q07343 14/20 0.78
PDE4C Q08493 14/20 0.78
PDE4D Q08499 14/20 0.78
TNF P01375 8/20 0.70

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
SCHEMBL9977550 1.00 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL8288775 0.89 PDE4B (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL14528950 0.89 TNF (0.64) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL9977590 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6554664 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7445922 0.86 TNF (0.84) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7432712 0.86 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL21215174 0.86 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL8269358 0.85 PDE4B (0.75) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL14402820 0.85 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DTNF

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