SCHEMBL8516658

SCHEMBL8516658

O=S(=O)(O)c1cc(-c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 1/20 0.48
PGAM1 P18669 1/20 0.42
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LMNA P02545 1/20 0.39
CASP6 P55212 3/20 0.39
NSD2 O96028 3/20 0.39
GAA P10253 1/20 0.39
PLCG1 P19174 1/20 0.39
DNMT1 P26358 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NT5E P21589 3/20 0.38
PRMT1 Q99873 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3495112 0.88 ING2 (0.54) ING2PGAM1ALDH1A1HSD17B10TDP1
SCHEMBL8517095 0.88 ING2 (0.42) ING2PGAM1ALDH1A1HSD17B10TDP1
SCHEMBL8517631 0.87 ALDH1A1 (0.49) ING2PGAM1ALDH1A1HSD17B10TDP1
SCHEMBL8516628 0.86 PGAM1 (0.47) ING2PGAM1ALDH1A1HSD17B10TDP1
Sulfuric Acid SCHEMBL7092779 0.84 ING2 (0.50) ING2PGAM1ALDH1A1HSD17B10TDP1
SCHEMBL8367637 0.83 TSHR (0.45) ING2PGAM1ALDH1A1HSD17B10TDP1
SCHEMBL8516683 0.83 LMNA (0.48) ING2PGAM1HSD17B10FYNLMNA
SCHEMBL9242875 0.82 ING2 (0.48) ING2PGAM1ALDH1A1HSD17B10TDP1
SCHEMBL30057851 0.82 ING2 (0.48) ING2PGAM1ALDH1A1HSD17B10TDP1
SCHEMBL7590808 0.82 ING2 (0.48) ING2PGAM1ALDH1A1HSD17B10TDP1

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