SCHEMBL6693354

SCHEMBL6693354

COc1ccc(C(CC(=O)O)N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
ATM Q13315 1/20 0.63
TNF P01375 11/20 0.60
PDE4A P27815 4/20 0.52
PDE4B Q07343 4/20 0.52
PDE4C Q08493 4/20 0.52
PDE4D Q08499 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.44
AADAT Q8N5Z0 1/20 0.43
FFAR1 O14842 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL6693845 0.86 TNF (0.79) KMT2AATMTNFPDE4APDE4B
SCHEMBL6689047 0.81 TNF (0.64) KMT2AATMTNFPDE4APDE4B
SCHEMBL6693327 0.75 TNF (0.79) KMT2ATNFPDE4APDE4BPDE4C
SCHEMBL6691607 0.75 TNF (0.70) KMT2AATMTNFPDE4APDE4B
SCHEMBL6693790 0.74 TNF (0.65) KMT2AATMTNFPDE4APDE4B
SCHEMBL6688763 0.74 TNF (1.00) KMT2AATMTNFPDE4APDE4B
SCHEMBL6693277 0.74 TNF (0.77) KMT2AATMTNFPDE4APDE4B
SCHEMBL28722625 0.74 TNF (0.72) KMT2AATMTNFPDE4APDE4B
SCHEMBL6688750 0.73 PDE4A (0.68) KMT2AATMTNFPDE4APDE4B
SCHEMBL8380372 0.73 KMT2A (0.60) KMT2AATML3MBTL1FFAR1

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 11 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-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