SCHEMBL9977553

SCHEMBL9977553

CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(O)c3C2=O)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 1.00
PDE4C Q08493 18/20 1.00
PDE4A P27815 12/20 1.00
PDE4D Q08499 12/20 1.00
HTR2B P41595 1/20 0.75
TNF P01375 1/20 0.63

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
SCHEMBL9977579 1.00 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL9977589 0.91 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1194004 0.91 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537071 0.90 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537805 0.90 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL29372989 0.90 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL9977585 0.90 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
Hydrochloric Acid SCHEMBL3355989 0.90 PDE4B (0.98) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3358462 0.90 PDE4B (1.00) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL7109678 0.89 PDE4B (0.84) 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