SCHEMBL6876369

SCHEMBL6876369

CCOc1cc(C(CN)S(=O)(=O)N(C)C)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.45
PDE4A P27815 11/20 0.45
PDE4C Q08493 11/20 0.45
PDE4D Q08499 11/20 0.45
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL905908 0.85 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7084190 0.85 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2913506 0.85 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL1566208 0.77 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL20580395 0.77 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6876864 0.74 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL28048197 0.73 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL31190158 0.73 PDE4A (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL20459373 0.73 ALDH1A1 (0.51) PDE4BPDE4APDE4CPDE4DALDH1A1
Ammonia Solution, Strong SCHEMBL18920443 0.72 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126839-A4 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNF ALPHA LEVELS CELGENE CORP (US) 2004-10-27 EP disclosed
EP-1126839-A1 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNF ALPHA LEVELS CELGENE CORPORATION (US) 2001-08-29 EP disclosed
WO-2000025777-A1 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNFαLEVELS CELGENE CORPORATION (US) 2000-05-11 WO disclosed