SCHEMBL9977548

SCHEMBL9977548

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 1.00
PDE4B Q07343 18/20 1.00
PDE4C Q08493 18/20 1.00
PDE4D Q08499 18/20 1.00
TNF P01375 4/20 0.53
HTR2B P41595 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
SCHEMBL1193446 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637197 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL1193568 0.88 PDE4B (0.77) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL9977546 0.87 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL23509448 0.86 PDE4B (0.75) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL7440313 0.85 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7432884 0.85 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DTNF
Cdc-801 SCHEMBL185853 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL4637167 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL9977581 0.84 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