SCHEMBL8941496

SCHEMBL8941496

CCOc1cccc(S(=O)(=O)O)c1OCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SLC2A1 P11166 1/20 0.40
HCRTR1 O43613 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
DAO P14920 1/20 0.38
TSHR P16473 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL9601860 0.86 CA12 (0.42) HSD17B10L3MBTL1GLACA12CA1
SCHEMBL28806154 0.84 HSD17B10 (0.48) HSD17B10L3MBTL1GLACA12CA1
SCHEMBL14601547 0.84 GRK6 (0.41) HSD17B10L3MBTL1GLACA12CA1
SCHEMBL419398 0.84 HSD17B10 (0.54) HSD17B10L3MBTL1GLACA12CA1
SCHEMBL18700987 0.83 HSD17B10 (0.38) HSD17B10L3MBTL1SLC2A1ALDH1A1TSHR
SCHEMBL31411936 0.83 CA1 (0.54) HSD17B10L3MBTL1GLACA12CA1
Hydrochloric Acid SCHEMBL28058143 0.82 HSD17B10 (0.52) HSD17B10L3MBTL1GLACA12CA1
SCHEMBL4757504 0.82 HSD17B10 (0.52) HSD17B10L3MBTL1GLACA12CA1
SCHEMBL18628812 0.81 TTR (0.50) HSD17B10CA12CA1CA2CA9
SCHEMBL15465584 0.81 HSD17B10 (0.52) HSD17B10L3MBTL1GLACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707627-A1 DETERGENT COMPOSITIONS COMPRISING SOIL RELEASE AGENTS PROCTER & GAMBLE (US) 1996-04-24 EP disclosed
WO-1995002030-A1 DETERGENT COMPOSITIONS COMPRISING SOIL RELEASE AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-01-19 WO disclosed