SCHEMBL8600785

SCHEMBL8600785

CCc1cccc(S(=O)(=O)c2ccccc2)c1CC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.47
HSD11B1 P28845 1/20 0.47
MMP2 P08253 3/20 0.44
MMP8 P22894 3/20 0.44
MMP12 P39900 3/20 0.44
MMP13 P45452 3/20 0.44
MMP14 P50281 3/20 0.44
MMP16 P51512 3/20 0.44
MMP9 P14780 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
PSIP1 O75475 1/20 0.44
SLC6A2 P23975 6/20 0.43
HTR2A P28223 5/20 0.43
KMT2A Q03164 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 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
Methyl Phosphonate SCHEMBL1396499 0.91 HSD11B1 (0.44) HTR6HSD11B1MMP2MMP8MMP12
SCHEMBL10915427 0.87 GABRA1 (0.43) HSD11B1KMT2A
SCHEMBL10181290 0.85 HSD11B1 (0.59) HTR6HSD11B1MMP2MMP8MMP12
SCHEMBL10395734 0.85 ALDH1A1 (0.47) HSD11B1KMT2APTGDR2
SCHEMBL4618753 0.83 HTR6 (0.45) HTR6HSD11B1PSIP1SLC6A2HTR2A
SCHEMBL27733563 0.80 HSD11B1 (0.55) HTR6HSD11B1MMP2MMP8MMP12
SCHEMBL10777232 0.77 CYP2D6 (0.49) HTR6MMP2MMP8MMP12MMP13
SCHEMBL9331821 0.77 GABRA1 (0.41) HSD11B1SLC6A2KMT2A
SCHEMBL10179490 0.76 MMP2 (0.49) HTR6HSD11B1MMP2MMP8MMP12
SCHEMBL11593088 0.76 HTR6 (0.53) HTR6PSIP1KMT2A

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
EP-0821717-A1 AMINE CROSS-LINKABLE HOT-MELT ADHESIVE AND ADHESIVE FILM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-02-04 EP disclosed
WO-1996033248-A1 AMINE CROSS-LINKABLE HOT-MELT ADHESIVE AND ADHESIVE FILM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-24 WO disclosed