SCHEMBL4968560

SCHEMBL4968560

O=S(=O)(O)c1cc(-c2cc(S(=O)(=O)O)c(F)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PGAM1 P18669 1/20 0.38
NQO1 P15559 1/20 0.35
ING2 Q9H160 1/20 0.34
NSD2 O96028 1/20 0.33
MMP14 P50281 1/20 0.33
CASP6 P55212 1/20 0.33
BRD4 O60885 1/20 0.32
MPL P40238 1/20 0.31
TET2 Q6N021 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL4965801 0.91 TET2 (0.34) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL5539966 0.91 HSD17B10 (0.45) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL4966336 0.83 HSD17B10 (0.60) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL5546794 0.80 ALDH1A1 (0.39) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL8516622 0.78 ESR1 (0.52) HSD17B10PGAM1NSD2MMP14CASP6
SCHEMBL16603739 0.78 BCL2L1 (0.42) MMP14CA1CA2
SCHEMBL8367613 0.78 PGAM1 (0.47) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL3235461 0.75 HSD17B10 (0.45) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL4972652 0.75 HSD17B10 (0.66) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL5126356 0.73 LCK (0.44) HSD17B10ALDH1A1TDP1ING2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8496835-B2 Anion-exchange displacement chromatography process and anionic organic compounds for use as displacer compounds in anion-exchange displacement chromatography process SACHEM, INC. (US) 2013-07-30 US disclosed
EP-1960078-A2 ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND ANIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS Sachem, Inc. (US) 2008-08-27 EP disclosed
WO-2007064809-A2 ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND ANIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS SACHEM, INC. (US) 2007-06-07 WO disclosed
US-20070125712-A1 ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND ANIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS PNC BANK, NATIONAL ASSOCIATION 2007-06-07 US disclosed