SCHEMBL7746332

SCHEMBL7746332

CCOc1ccc(C(CC(=O)OC)N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1OCC

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNF P01375 13/20 0.81
PDE4A P27815 8/20 0.68
PDE4B Q07343 8/20 0.68
PDE4C Q08493 8/20 0.68
PDE4D Q08499 8/20 0.68

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
SCHEMBL7741527 0.96 TNF (0.88) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6099935 0.88 PDE4A (0.74) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7741538 0.84 TNF (0.79) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6095763 0.81 TNF (0.63) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7847569 0.81 TNF (0.63) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7746632 0.81 PDE4A (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL23000623 0.81 PDE4A (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7748803 0.81 TNF (0.86) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL1194579 0.80 PDE4B (0.74) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL7741608 0.79 TNF (0.88) TNFPDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed
US-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US disclosed
US-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US disclosed
US-5698579-A INHIBITOR OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-16 US disclosed