SCHEMBL23652155

SCHEMBL23652155

C[C@H]1OC1Oc1ccc(COC(=O)NCCCS(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
TGM2 P21980 1/20 0.40
KEAP1 Q14145 4/20 0.38
NFE2L2 Q16236 4/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
BRD4 O60885 1/20 0.36
FOLH1 Q04609 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13944213 0.80 HTT (0.45) MAPTHTTL3MBTL1TPSAB1TPSD1
SCHEMBL15927264 0.80 HTT (0.49) MAPTHTTL3MBTL1TPSAB1TPSD1
SCHEMBL3820663 0.79 HTT (0.44) MAPTHTTL3MBTL1TPSAB1TPSD1
SCHEMBL917878 0.77 HTT (0.67) MAPTHTTL3MBTL1TGM2KEAP1
SCHEMBL13871818 0.76 MAPT (0.55) MAPTL3MBTL1CA1CA2
SCHEMBL917788 0.76 HTT (0.65) HTTL3MBTL1TGM2KEAP1NFE2L2
SCHEMBL3309927 0.74 HTT (0.67) MAPTHTTL3MBTL1TGM2KEAP1
SCHEMBL918470 0.73 HTT (0.65) HTTL3MBTL1TGM2KEAP1NFE2L2
SCHEMBL3820665 0.71 HTT (0.43) MAPTHTTL3MBTL1TPSAB1TPSD1
SCHEMBL15601764 0.71 HSP90AA1 (0.49) HTTL3MBTL1TGM2KEAP1NFE2L2

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
EP-3851447-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI Limited Partnership (CA) 2021-07-21 EP disclosed