SCHEMBL8517286

SCHEMBL8517286

O=S(=O)(O)c1cc(-c2ccc(O)c(S(=O)(=O)O)c2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NQO1 P15559 1/20 0.37
ING2 Q9H160 1/20 0.37
NT5E P21589 2/20 0.36
PGAM1 P18669 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.35
NSD2 O96028 2/20 0.34
PKLR P30613 1/20 0.34
MAPK1 P28482 1/20 0.34
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
CASP6 P55212 1/20 0.33
PTPN11 Q06124 1/20 0.33
PRMT1 Q99873 1/20 0.33
ATIC P31939 1/20 0.33

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
SCHEMBL8517095 0.84 ING2 (0.42) HSD17B10LMNAHIF1AALDH1A1NQO1
SCHEMBL8516683 0.83 LMNA (0.48) HSD17B10HPGDLMNAHIF1AING2
SCHEMBL7573565 0.83 ALDH1A1 (0.47) HSD17B10HPGDLMNAHIF1AALDH1A1
SCHEMBL8516658 0.80 ING2 (0.48) HSD17B10HPGDLMNAALDH1A1NQO1
SCHEMBL8367637 0.80 TSHR (0.45) HSD17B10ALDH1A1ING2PGAM1NSD2
SCHEMBL8517631 0.80 ALDH1A1 (0.49) HSD17B10HPGDLMNAALDH1A1NQO1
SCHEMBL8517059 0.79 PGAM1 (0.44) HSD17B10HPGDLMNAHIF1AALDH1A1
SCHEMBL1535883 0.78 HSD17B10 (0.52) HSD17B10HPGDLMNAHIF1AALDH1A1
Potassium SCHEMBL30364442 0.77 HSD17B10 (0.50) HSD17B10HPGDLMNAHIF1AALDH1A1
SCHEMBL28993725 0.77 HSD17B10 (0.50) HSD17B10HPGDLMNAHIF1AALDH1A1

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
EP-0714785-B1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI CHEMICALS INC (JP) 1999-01-07 EP disclosed
US-5647896-A MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
EP-0714785-A1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-05 EP disclosed