SCHEMBL12829949

SCHEMBL12829949

CNc1ccc(S(=O)(=O)C(C)OS(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.46
CA1 P00915 10/20 0.46
CA12 O43570 9/20 0.46
ALDH1A1 P00352 4/20 0.46
RECQL P46063 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
HIF1A Q16665 1/20 0.46
CA9 Q16790 8/20 0.39
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12829325 0.81 LMNA (0.42) CA2CA1CA12ALDH1A1RECQL
SCHEMBL1819324 0.79 TSHR (0.48) CA2CA1CA12ALDH1A1CYP3A4
SCHEMBL7098293 0.79 SMN1; SMN2 (0.45) CA2CA1CA12ALDH1A1HSD17B10
SCHEMBL13588724 0.76 CA2 (0.57) CA2CA1CA12ALDH1A1RECQL
SCHEMBL9175160 0.72 ALDH1A1 (0.61) CA2CA1CA12ALDH1A1RECQL
SCHEMBL35747 0.72 ALDH1A1 (0.61) CA2CA1CA12ALDH1A1RECQL
Sulfuric Acid SCHEMBL16207785 0.71 ALDH1A1 (0.81) CA2CA1CA12ALDH1A1RECQL
SCHEMBL19567317 0.71 CA12 (0.55) CA2CA1CA12ALDH1A1RECQL
SCHEMBL13196224 0.70 LMNA (0.38) ALDH1A1RECQLHPGDTP53NPSR1
SCHEMBL13744645 0.70 SNCA (0.43) ALDH1A1HSD17B10HPGDGAAKMT2A

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-20110077375-A1 Functionalized particles HUNTSMAN TEXTILE EFFECTS (GERMANY) GMBH (DE) 2011-03-31 US disclosed