SCHEMBL8740780

SCHEMBL8740780

O=S(=O)(O)c1ccc(O)c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.44
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LDHA P00338 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NQO1 P15559 1/20 0.37
KDM4E B2RXH2 1/20 0.35
EGFR P00533 1/20 0.35
PTGS1 P23219 1/20 0.34
MPL P40238 3/20 0.34
CYP2D6 P10635 1/20 0.34
CTRC Q99895 1/20 0.34

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
SCHEMBL1889215 0.89 HSD17B10 (0.44) COMTHSD17B10LMNAHPGDHIF1A
SCHEMBL30451951 0.89 HSD17B10 (0.44) COMTHSD17B10LMNAHPGDHIF1A
Water SCHEMBL28047497 0.87 HSD17B10 (0.43) COMTHSD17B10LMNAHPGDHIF1A
SCHEMBL10921837 0.87 TSHR (0.41) COMTHSD17B10LMNAHPGDHIF1A
SCHEMBL4070129 0.86 COMT (0.42) COMTHSD17B10LMNAHPGDHIF1A
SCHEMBL7756811 0.84 COMT (0.41) COMTHSD17B10LMNAHPGDHIF1A
SCHEMBL31256 0.83 COMT (0.43) COMTHSD17B10LMNAHPGDHIF1A
SCHEMBL29373188 0.83 COMT (0.43) COMTHSD17B10LMNAHPGDHIF1A
SCHEMBL8369083 0.82 LMNA (0.40) COMTHSD17B10LMNAHPGDHIF1A
SCHEMBL8755118 0.82 AURKA (0.43) COMTHSD17B10LMNAHPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778900-A4 PICKLING OF HIDES AND SKINS COMMW SCIENT IND RES ORG (AU) 1997-11-26 EP claimed
EP-0778900-A1 PICKLING OF HIDES AND SKINS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1997-06-18 EP claimed
WO-1996006953-A1 PICKLING OF HIDES AND SKINS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-03-07 WO claimed
EP-0778900-A4 PICKLING OF HIDES AND SKINS COMMW SCIENT IND RES ORG (AU) 1997-11-26 EP disclosed
EP-0778900-A1 PICKLING OF HIDES AND SKINS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1997-06-18 EP disclosed
WO-1996006953-A1 PICKLING OF HIDES AND SKINS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-03-07 WO disclosed