SCHEMBL5318762

SCHEMBL5318762

O=S(=O)(O)c1cc(Cl)c(O)c(S(=O)(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NSD2 O96028 1/20 0.37
MMP14 P50281 1/20 0.37
CASP6 P55212 1/20 0.37
F2 P00734 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
ACLY P53396 3/20 0.36
PGAM1 P18669 1/20 0.36
TTR P02766 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL29433374 0.87 HSD17B10 (0.44) CA1CA2HSD17B10ALDH1A1CASP1
SCHEMBL5207685 0.84 HSD17B10 (0.44) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL28650613 0.81 HSD17B10 (0.44) CA1CA2HSD17B10ALDH1A1CASP1
SCHEMBL29412224 0.78 HSD17B10 (0.40) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL7091094 0.78 HSD17B10 (0.40) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL397094 0.77 CA1 (0.68) CA1CA2HSD17B10ALDH1A1NSD2
SCHEMBL29364988 0.77 CA1 (0.68) CA1CA2HSD17B10ALDH1A1NSD2
SCHEMBL17005598 0.77 HSD17B10 (0.39) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL17005600 0.77 HSD17B10 (0.39) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL31251954 0.77 HSD17B10 (0.48) CA1CA2HSD17B10ALDH1A1CASP1

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
WO-2007069867-A1 HYDROPHILIC ADJUVANT LG CHEM, LTD (KR) 2007-06-21 WO disclosed