SCHEMBL6553133

SCHEMBL6553133

CCOc1cc(C(CC#N)N2C(=O)c3ccccc3C2=O)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 1.00
PDE4B Q07343 15/20 1.00
PDE4C Q08493 15/20 1.00
PDE4D Q08499 15/20 1.00
TNF P01375 7/20 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
SCHEMBL5905223 0.94 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL5905090 0.92 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL8640250 0.91 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2992015 0.89 PDE4B (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6555476 0.89 PDE4B (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL14402820 0.89 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL13699741 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL31062863 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL8637015 0.88 PDE4B (0.78) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL8327774 0.88 PDE4A (0.78) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728845-A TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE INHIBITORS CELGENE CORPORATION (US) 1998-03-17 US claimed
EP-0851857-B1 INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA CELGENE CORP (US) 2004-02-18 EP disclosed
EP-1367051-A2 Inhibitors of tumor necrosis factor alpha CELGENE CORPORATION (US) 2003-12-03 EP disclosed
EP-0957091-B1 Inhibitors of tumor necrosis factor alpha CELGENE CORP (US) 2003-06-04 EP disclosed
EP-0957091-A1 Inhibitors of tumor necrosis factor alpha CELGENE CORPORATION (US) 1999-11-17 EP disclosed
EP-0851857-A1 INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA CELGENE CORPORATION (US) 1998-07-08 EP disclosed
WO-1997008143-A1 INHIBITORS OF TUMOR NECROSIS FACTOR ALPHA CELGENE CORPORATION (US) 1997-03-06 WO disclosed