SCHEMBL8516709

SCHEMBL8516709

O=S(=O)(O)c1ccc(O)c(-c2cc(S(=O)(=O)O)ccc2O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
HSD17B10 Q99714 4/20 0.63
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.52
SERPINE1 P05121 3/20 0.48
TSHR P16473 3/20 0.44
NT5E P21589 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CA9 Q16790 1/20 0.43
CASP6 P55212 2/20 0.43
NSD2 O96028 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL8516332 0.90 HSD17B10 (0.53) ALDH1A1HSD17B10HPGDKDM4ELMNA
SCHEMBL25871115 0.87 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDKDM4ELMNA
SCHEMBL29382034 0.85 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDKDM4ELMNA
SCHEMBL16856695 0.85 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDKDM4ELMNA
SCHEMBL307133 0.85 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDKDM4ELMNA
SCHEMBL8517631 0.85 ALDH1A1 (0.49) ALDH1A1HSD17B10HPGDKDM4ELMNA
SCHEMBL8367520 0.84 BACE1 (0.54) ALDH1A1HSD17B10HPGDKDM4ELMNA
SCHEMBL8516470 0.84 LMNA (0.57) ALDH1A1HSD17B10HPGDKDM4ELMNA
Ammonia Solution, Strong SCHEMBL2450277 0.83 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDKDM4ELMNA
SCHEMBL6368593 0.83 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDKDM4ELMNA

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