SCHEMBL6693790

SCHEMBL6693790

COc1ccc(C(CC(=O)O)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.65
ATM Q13315 2/20 0.53
KMT2A Q03164 1/20 0.53
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL6098123 0.83 TNF (0.75) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL23000632 0.83 TNF (0.75) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL23000615 0.83 TNF (0.75) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6693845 0.82 TNF (0.79) TNFATMKMT2APDE4APDE4B
SCHEMBL7436698 0.80 L3MBTL1 (0.57) TNFATMKMT2AL3MBTL1ALDH1A1
SCHEMBL6689047 0.79 TNF (0.64) TNFATMKMT2APDE4APDE4B
SCHEMBL6260167 0.77 TNF (0.53) TNFATMKMT2AALDH1A1APEX1
SCHEMBL7741608 0.75 TNF (0.88) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL30568371 0.75 TNF (0.88) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL30568370 0.75 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 13 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
EP-0706521-B1 IMIDES AS TNF ALPHA INHIBITORS CELGENE CORP (US) 2002-10-02 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-1004581-A2 Process for the preparation of thalidomide CELGENE CORPORATION (US) 2000-05-31 EP 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
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