SCHEMBL6689080

SCHEMBL6689080

COc1cc(C(CC(=O)O)N2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNF P01375 12/20 0.81
PDE4A P27815 9/20 0.74
PDE4B Q07343 9/20 0.74
PDE4C Q08493 9/20 0.74
PDE4D Q08499 9/20 0.74

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
SCHEMBL6693227 0.92 TNF (0.82) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6690004 0.90 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6691297 0.90 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL3121844 0.90 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6692796 0.86 TNF (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6098481 0.85 PDE4A (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL3120500 0.85 PDE4A (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL15015430 0.84 TNF (0.68) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2988010 0.84 TNF (0.69) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6692793 0.83 PDE4A (0.89) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP claimed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
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
EP-1004572-A2 Amines as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004580-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004581-A2 Process for the preparation of thalidomide CELGENE CORPORATION (US) 2000-05-31 EP 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
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 US disclosed
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed