SCHEMBL9350372

SCHEMBL9350372

Cc1ccc(S(=O)(=O)O)c(CCCCCO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.37
GAA P10253 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MPL P40238 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
AMY1A P0DUB6 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEP1B Q16820 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL29264796 1.00 CA2 (0.37) CA2GAAHSD17B10MPLMAPT
SCHEMBL8761834 1.00 CA2 (0.37) CA2GAAHSD17B10MPLMAPT
SCHEMBL22609518 1.00 CA2 (0.37) CA2GAAHSD17B10MPLMAPT
SCHEMBL8470871 0.98 CA2 (0.36) CA2GAAHSD17B10MPLMAPT
SCHEMBL15311994 0.94 CA2 (0.39) CA2GAAHSD17B10MPLMAPT
SCHEMBL8082255 0.94 GAA (0.38) GAAHSD17B10MPLMAPTKDM4E
SCHEMBL5718660 0.94 GAA (0.38) GAAHSD17B10MPLMAPTKDM4E
SCHEMBL8084853 0.94 GAA (0.38) GAAHSD17B10MPLMAPTKDM4E
SCHEMBL8086471 0.94 GAA (0.38) GAAHSD17B10MPLMAPTKDM4E
SCHEMBL8084715 0.94 GAA (0.38) GAAHSD17B10MPLMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317998-B1 Manufacturing method of optically-active 1,2-diols KANEGAFUCHI CHEMICAL IND (JP) 1994-08-31 EP disclosed
US-4981796-A BIOSYNTHESIS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-01 US disclosed
EP-0317998-A2 Manufacturing method of optically-active 1,2-diols KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-05-31 EP disclosed