SCHEMBL8516628

SCHEMBL8516628

O=S(=O)(O)c1cc(-c2ccccc2O)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.47
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NSD2 O96028 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
PTPN11 Q06124 1/20 0.38
ING2 Q9H160 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
NT5E P21589 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 3/20 0.37
MAPK1 P28482 2/20 0.37
MPL P40238 2/20 0.37
CYP2C9 P11712 2/20 0.36
PKLR P30613 2/20 0.36
DNASE1L3 Q13609 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
SCHEMBL8516658 0.86 ING2 (0.48) PGAM1TSHRSMN1; SMN2NSD2DUSP3
SCHEMBL8517631 0.85 ALDH1A1 (0.49) PGAM1NSD2DUSP3PTPN5CASP7
SCHEMBL8367637 0.81 TSHR (0.45) PGAM1TSHRSMN1; SMN2NSD2DUSP3
SCHEMBL8516810 0.79 PGAM1 (0.45) PGAM1TSHRSMN1; SMN2NSD2CASP6
SCHEMBL8516332 0.79 HSD17B10 (0.53) TSHRSMN1; SMN2ALDH1A1CYP1A2MAPK1
SCHEMBL29700277 0.76 PGAM1 (0.44) PGAM1TSHRSMN1; SMN2NSD2CASP6
SCHEMBL6155652 0.76 PGAM1 (0.44) PGAM1TSHRSMN1; SMN2NSD2CASP6
SCHEMBL8517286 0.75 HSD17B10 (0.40) PGAM1NSD2DUSP3PTPN5CASP6
SCHEMBL8516809 0.75 HSD17B10 (0.46) PGAM1TSHRNSD2CASP6NT5E
SCHEMBL3495112 0.75 ING2 (0.54) PGAM1TSHRSMN1; SMN2NSD2DUSP3

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