SCHEMBL9977546

SCHEMBL9977546

COc1ccc([C@@H](CN)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.80
PDE4B Q07343 13/20 0.80
PDE4C Q08493 13/20 0.80
PDE4D Q08499 13/20 0.80
TNF P01375 6/20 0.58
UTS2R Q9UKP6 1/20 0.52

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
SCHEMBL4637197 0.91 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DTNF
Cdc-801 SCHEMBL185853 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
Cdc-801 SCHEMBL29360102 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
Cdc-801 SCHEMBL9977552 0.89 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL22947101 0.88 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637138 0.88 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7440313 0.88 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7432884 0.88 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL9977548 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL1193446 0.87 PDE4A (1.00) 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