SCHEMBL28294505

SCHEMBL28294505

O=S(=O)(O)c1ccc(S(=O)(=O)O)c(O)c1.[CaH2]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 4/20 0.55
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NT5E P21589 3/20 0.46
CASP6 P55212 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 3/20 0.43
NSD2 O96028 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
SERPINE1 P05121 3/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
COMT P21964 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL564182 0.98 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDLMNAKDM4E
Ammonia Solution, Strong SCHEMBL17272233 0.95 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDLMNAKDM4E
Water SCHEMBL6369078 0.93 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL6144257 0.84 LMNA (0.48) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL7524251 0.82 TNNI3 (0.56) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL8113889 0.82 TNNI3 (0.53) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL671358 0.82 HSD17B10 (0.61) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL29837227 0.82 HSD17B10 (0.61) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL5409149 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDLMNAKDM4E
SCHEMBL30084548 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092736-A A kind of Calcium Dobesilate preparation method reducing oxybenzene disulfonic acid calcium impurities content 湖北广辰药业有限公司 2019-08-06 CN claimed
CN-109678764-A A kind of oxybenzene disulfonic acid and its calcium salt and preparation method 湖北广辰药业有限公司 2019-04-26 CN claimed
CN-110092736-A A kind of Calcium Dobesilate preparation method reducing oxybenzene disulfonic acid calcium impurities content 湖北广辰药业有限公司 2019-08-06 CN disclosed
CN-110092736-A A kind of Calcium Dobesilate preparation method reducing oxybenzene disulfonic acid calcium impurities content 湖北广辰药业有限公司 2019-08-06 CN disclosed
CN-110092736-A A kind of Calcium Dobesilate preparation method reducing oxybenzene disulfonic acid calcium impurities content 湖北广辰药业有限公司 2019-08-06 CN disclosed
CN-109678764-A A kind of oxybenzene disulfonic acid and its calcium salt and preparation method 湖北广辰药业有限公司 2019-04-26 CN disclosed
CN-109678764-A A kind of oxybenzene disulfonic acid and its calcium salt and preparation method 湖北广辰药业有限公司 2019-04-26 CN disclosed