SCHEMBL13367643

SCHEMBL13367643

Cc1ccc(S(=O)(=O)[C@@H](C)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
CA2 P00918 6/20 0.48
CA1 P00915 5/20 0.48
CA9 Q16790 4/20 0.48
CA12 O43570 3/20 0.48
CA7 P43166 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TLR9 Q9NR96 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
MMP8 P22894 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL15478776 1.00 GAA (0.52) GAACA2CA1CA9CA12
SCHEMBL30896660 0.91 GAA (0.56) GAACA2CA1CA9CA12
SCHEMBL1149214 0.81 GAA (0.56) GAACA2CA1CA9CA12
SCHEMBL178444 0.81 GAA (0.56) GAACA2CA1CA9CA12
SCHEMBL27694463 0.79 GAA (0.54) GAACA2CA1CA9CA12
SCHEMBL16623120 0.79 HTR6 (0.46) CA2CA1CA9CA12CA7
SCHEMBL9385444 0.79 GAA (0.54) GAACA2CA1CA9CA12
SCHEMBL21818 0.79 GAA (0.54) GAACA2CA1CA9CA12
SCHEMBL25678915 0.78 GAA (0.48) GAACA2CA1CA9CA12
SCHEMBL26343853 0.78 GAA (0.59) GAACA2CA1CA9CA12

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-20100112683-A2 Thermal Cycler for Automatic Performance of the Polymerase Chain Reaction with Close Temperature Control APPLIED BIOSYSTEMS, LLC (US) 2010-05-06 US disclosed