SCHEMBL8507004

SCHEMBL8507004

O=S(=O)(O)c1cc(O)c(O)c(S(=O)(=O)O)c1.O=S(=O)(O)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 1/20 0.50
NT5E P21589 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CASP6 P55212 4/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ING2 Q9H160 1/20 0.44
TSHR P16473 2/20 0.43
NSD2 O96028 4/20 0.42
SUMO2 P61956 1/20 0.42
SUMO1 P63165 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP2 Q9HC62 1/20 0.42
DUSP3 P51452 2/20 0.42
PTPN5 P54829 2/20 0.42
PTPN11 Q06124 2/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL30999 0.94 ING2 (0.48) ALDH1A1HSD17B10LMNANT5EHPGD
SCHEMBL9242875 0.94 ING2 (0.48) ALDH1A1HSD17B10LMNANT5EHPGD
SCHEMBL29367149 0.94 ING2 (0.48) ALDH1A1HSD17B10LMNANT5EHPGD
SCHEMBL772208 0.94 ING2 (0.48) ALDH1A1HSD17B10LMNANT5EHPGD
SCHEMBL30057851 0.94 ING2 (0.48) ALDH1A1HSD17B10LMNANT5EHPGD
SCHEMBL17627830 0.92 ING2 (0.47) ALDH1A1HSD17B10LMNANT5EHPGD
SCHEMBL9960463 0.92 ING2 (0.47) ALDH1A1HSD17B10LMNANT5EHPGD
SCHEMBL3222677 0.92 ING2 (0.47) ALDH1A1HSD17B10LMNANT5EHPGD
SCHEMBL3309996 0.92 ING2 (0.47) ALDH1A1HSD17B10LMNANT5EHPGD
SCHEMBL772207 0.92 ING2 (0.47) ALDH1A1HSD17B10LMNANT5EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858326-A CONTACTING AMYLOIDOGENIC PEPTIDE WITH AMYLOID-ENHANCING COMPOUND COMPRISING AROMATIC MOIETY AND AT LEAST TWO ANIONIC MOIETIES IN VITRO TO FORM AMYLOID FIBRILS NEUROCHEM, INC. (CA) 1999-01-12 US claimed