SCHEMBL7924914

SCHEMBL7924914

O=S(=O)(CC1CCCCC1O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP14 P50281 1/20 0.46
TRPA1 O75762 2/20 0.41
CTSK P43235 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
MMP1 P03956 1/20 0.37

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
SCHEMBL21820745 0.81 CRBN (0.53) CRBNMMP2MMP9MMP14TRPA1
SCHEMBL4595077 0.77 CRBN (0.55) CRBNMMP2MMP9MMP14TRPA1
SCHEMBL7430258 0.74 MMP2 (0.52) MMP2MMP9MMP14MMP1MMP8
SCHEMBL4613041 0.73 CTSK (0.77) CTSK
SCHEMBL4613043 0.73 CTSK (0.77) CTSK
SCHEMBL7916925 0.72 MMP2 (0.50) MMP2MMP9MMP14MMP1MMP8
SCHEMBL13448628 0.70 PTGS2 (0.39) CRBNKMT2AMEN1ALDH1A1CA1
SCHEMBL8643198 0.70 AOC2 (0.55) CRBNMMP2MMP9MMP14CYP3A4
SCHEMBL30882890 0.69 PTGS1 (0.56) TRPA1
SCHEMBL27659898 0.69 CRBN (0.51) CRBNMMP2MMP9MMP14CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed