SCHEMBL19201819

SCHEMBL19201819

CNc1ccc(O)c(O)c1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HIF1A Q16665 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
EP300 Q09472 2/20 0.36
KAT2B Q92831 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32

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
SCHEMBL5202112 0.78 TRPA1 (0.38) HSD17B10ALDH1A1HPGDHIF1ATP53
SCHEMBL2552952 0.77 HSD17B10 (0.40) HSD17B10ALDH1A1HPGDHIF1ATP53
SCHEMBL19199573 0.74 HSD17B10 (0.35) HSD17B10ALDH1A1HPGDHIF1ATP53
SCHEMBL31256 0.73 COMT (0.43) HSD17B10ALDH1A1HPGDHIF1ATP53
SCHEMBL29373188 0.73 COMT (0.43) HSD17B10ALDH1A1HPGDHIF1ATP53
SCHEMBL19202243 0.72 IDO1 (0.52) IDO1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL11036814 0.72 PRMT1 (0.48) IDO1HSD17B10ALDH1A1HPGDHIF1A
SCHEMBL3218328 0.71 COMT (0.42) HSD17B10ALDH1A1HPGDHIF1ATP53
SCHEMBL19730612 0.69 ALDH1A1 (0.48) IDO1HSD17B10ALDH1A1HPGDCYP3A4
SCHEMBL19193494 0.69 ALDH1A1 (0.41) HSD17B10ALDH1A1HPGDHIF1AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017218499-A1 IONIC POLYMERS AND THEIR USE AS WET-ADHESIVES AND COATINGS ACatechol, Inc. (US) 2017-12-21 WO disclosed
WO-2017132463-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed