SCHEMBL16856772

SCHEMBL16856772

C=Cc1ccc(O)c(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
TRPA1 O75762 1/20 0.46
HSD17B10 Q99714 3/20 0.45
HIF1A Q16665 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
EGFR P00533 2/20 0.40
NQO1 P15559 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 0.36
PTGS1 P23219 1/20 0.36
LCK P06239 2/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL3714741 0.84 TDP1 (0.55) TDP1TRPA1NQO1ESR1ESR2
SCHEMBL8605757 0.82 KDM4E (0.57) TDP1HSD17B10HIF1ALMNAHPGD
SCHEMBL30757967 0.81 TDP1 (0.52) TDP1TRPA1ALDH1A1MCL1CISD1
SCHEMBL1470769 0.81 TDP1 (0.52) TDP1TRPA1ALDH1A1MCL1CISD1
SCHEMBL2946047 0.81 KDM4E (0.55) TDP1HSD17B10HIF1ALMNAHPGD
Sulfuric Acid SCHEMBL23249872 0.80 KDM4E (0.54) TDP1TRPA1HSD17B10HIF1ALMNA
SCHEMBL11873084 0.79 TDP1 (0.50) TDP1TRPA1LMNAESR1ESR2
SCHEMBL31228291 0.78 TDP1 (0.47) TDP1HSD17B10HIF1ALMNAHPGD
SCHEMBL17171613 0.77 TDP1 (0.52) TDP1TRPA1ALDH1A1MCL1CISD1
SCHEMBL11828925 0.76 TDP1 (0.50) TDP1TRPA1ALDH1A1PTGS2RAB9A

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-20150228994-A1 POLYELECTROLYTE FILM KURARAY CO., LTD. (JP) 2015-08-13 US disclosed
EP-2889940-A1 POLYELECTROLYTE FILM Kuraray Co., Ltd. (JP) 2015-07-01 EP disclosed
CN-104584297-A polymer electrolyte membrane KURARAY CO 2015-04-29 CN disclosed