SCHEMBL5546290

SCHEMBL5546290

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.68
ALDH1A1 P00352 2/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CYP2D6 P10635 1/20 0.47
PTPN1 P18031 3/20 0.46
AKR1C2 P52895 8/20 0.44
AKR1C1 Q04828 8/20 0.44
AKR1C4 P17516 3/20 0.44
AKR1C3 P42330 3/20 0.44
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MCL1 Q07820 3/20 0.41
CYP2C9 P11712 1/20 0.41
MPL P40238 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
LCK P06239 1/20 0.38

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
SCHEMBL4972652 0.98 HSD17B10 (0.66) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL15139577 0.98 HSD17B10 (0.66) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL4966336 0.93 HSD17B10 (0.60) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL4965524 0.91 ALDH1A1 (0.58) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL4964562 0.86 HSD17B10 (0.53) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL15139245 0.84 ACMSD (0.53) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL25282372 0.82 HSD17B10 (0.66) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL4961094 0.82 HSD17B10 (0.66) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL4096355 0.82 HSD17B10 (0.65) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL7898887 0.81 ALDH1A1 (0.64) HSD17B10ALDH1A1CASP1CASP7TDP1

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-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
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
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