SCHEMBL20161716

SCHEMBL20161716

CNC(C)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
GBA1 P04062 1/20 0.41
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 2/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALDH1A1 P00352 7/20 0.40
VDR P11473 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9550984 0.87 GAA (0.45) GAASMN1; SMN2CA2CA1MMP2
SCHEMBL5557903 0.82 GAA (0.52) GAASMN1; SMN2CA2CA1MMP2
SCHEMBL2342945 0.82 GAA (0.52) GAASMN1; SMN2CA2CA1MMP2
SCHEMBL143705 0.80 GAA (0.50) GAASMN1; SMN2CA2CA1MMP2
SCHEMBL890642 0.80 GAA (0.50) GAASMN1; SMN2CA2CA1MMP2
SCHEMBL19949926 0.79 GAA (0.48) GAASMN1; SMN2CA2CA1MMP2
SCHEMBL1629581 0.79 TLR9 (0.48) GAASMN1; SMN2CA2CA1MMP2
SCHEMBL14778368 0.79 TLR9 (0.48) GAASMN1; SMN2CA2CA1MMP2
SCHEMBL2555662 0.79 GAA (0.48) GAASMN1; SMN2CA2CA1MMP2
Ammonia Solution, Strong SCHEMBL5917791 0.79 GAA (0.48) GAASMN1; SMN2CA2CA1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10767063-B2 Aqueous inkjet inks AGFA-GEVAERT NV (BE) 2020-09-08 US disclosed
US-20180201798-A1 AQUEOUS INKJET INKS AGFA-GEVAERT (BE) 2018-07-19 US disclosed
US-20180134056-A1 LASER MARKABLE COMPOSITIONS, ARTICLES AND DOCUMENTS AGFA-GEVAERT (BE) 2018-05-17 US disclosed