SCHEMBL4789122

SCHEMBL4789122

Cc1ccc(S(=O)(=O)OCC(C)C2COC(C)(C)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
CA2 P00918 1/20 0.35
HTT P42858 1/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
STAT3 P40763 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL10522629 1.00 MMP9 (0.37) MMP9MMP1MMP2MMP3MMP7
SCHEMBL25388085 0.86 MMP9 (0.39) MMP9MMP1MMP2MMP3MMP7
SCHEMBL25388079 0.86 MMP9 (0.39) MMP9MMP1MMP2MMP3MMP7
SCHEMBL25388076 0.86 MMP9 (0.39) MMP9MMP1MMP2MMP3MMP7
SCHEMBL2387009 0.83 MEN1 (0.40) CA2DHODHALDH1A1NPSR1STAT3
SCHEMBL2387012 0.83 MEN1 (0.40) CA2DHODHALDH1A1NPSR1STAT3
SCHEMBL30500515 0.83 MEN1 (0.40) CA2DHODHALDH1A1NPSR1STAT3
SCHEMBL23540262 0.79 CA2 (0.43) MMP9MMP1MMP2MMP3MMP7
SCHEMBL10592684 0.79 MMP9 (0.37) MMP9MMP1MMP2MMP3MMP7
SCHEMBL14107252 0.78 CA2 (0.42) MMP9MMP1MMP2MMP3MMP7

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-2008094957-A1 METHOD OF PRODUCING ALKYL POLYALKYLENE GLYCOL ALKYL ALDEHYDES DOW GLOBAL TECHNOLOGIES INC. (US) 2008-08-07 WO disclosed
WO-2008094957-A1 METHOD OF PRODUCING ALKYL POLYALKYLENE GLYCOL ALKYL ALDEHYDES DOW GLOBAL TECHNOLOGIES INC. (US) 2008-08-07 WO disclosed