SCHEMBL6818050

SCHEMBL6818050

CCCCCCCCC(NS(=O)(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.53
ITGAV P06756 2/20 0.53
ITGA2B P08514 3/20 0.52
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
MMP2 P08253 5/20 0.48
MMP9 P14780 5/20 0.48
MMP8 P22894 3/20 0.48
MMP12 P39900 3/20 0.48
MMP14 P50281 3/20 0.48
TLR2 O60603 1/20 0.48
CNR2 P34972 1/20 0.47
HPGD P15428 1/20 0.46
CTRC Q99895 1/20 0.46
TMPRSS2 O15393 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
SCHEMBL600046 0.94 ALDH1A1 (0.52) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL15308918 0.89 ALDH1A1 (0.50) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL4058881 0.89 SLC1A3 (0.55) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL18696985 0.86 ITGB3 (0.57) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL30309011 0.85 ITGB3 (0.65) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL12044849 0.85 SLC1A3 (0.54) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL6818664 0.84 HDAC3 (0.45) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL7357439 0.83 SLC1A3 (0.52) ITGB3ITGAVITGA2BALDH1A1MEN1
SCHEMBL23039617 0.83 HDAC2 (0.52) ITGB3ITGAVITGA2BSLC1A3SLC1A2
SCHEMBL3898276 0.83 SLC1A3 (0.57) ITGB3ITGAVITGA2BALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO claimed
WO-2004020402-A1 SULPHONYLAMINO DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-03-11 WO disclosed