SCHEMBL7110372

SCHEMBL7110372

COc1ccc(C=CC(=O)NCCc2ccc(OCc3ccccc3)c(S(N)(=O)=O)c2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY96 Q9Y6Y9 1/20 0.56
HDAC8 Q9BY41 2/20 0.53
MAPT P10636 5/20 0.51
ACHE P22303 2/20 0.51
APP P05067 2/20 0.51
BCHE P06276 1/20 0.51
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1D P25100 1/20 0.46

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
SCHEMBL7110370 1.00 LY96 (0.56) LY96HDAC8MAPTACHEAPP
SCHEMBL7108281 0.90 LY96 (0.65) LY96HDAC8MAPTACHEBCHE
SCHEMBL7108279 0.90 LY96 (0.65) LY96HDAC8MAPTACHEBCHE
SCHEMBL7657277 0.90 LY96 (0.58) LY96MAPTACHEBCHELMNA
SCHEMBL7657276 0.90 LY96 (0.58) LY96MAPTACHEBCHELMNA
SCHEMBL17821785 0.89 LY96 (0.63) LY96HDAC8MAPTACHEAPP
SCHEMBL17821783 0.89 LY96 (0.63) LY96HDAC8MAPTACHEAPP
SCHEMBL7109500 0.88 LY96 (0.58) LY96HDAC8MAPTACHEBCHE
SCHEMBL7109497 0.88 LY96 (0.58) LY96HDAC8MAPTACHEBCHE
SCHEMBL7667968 0.87 LY96 (0.57) LY96HDAC8MAPTACHEBCHE

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
EP-1183236-B1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2003-10-22 EP disclosed
EP-1183236-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
US-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed
WO-2000071513-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-30 WO disclosed