SCHEMBL11577679

SCHEMBL11577679

C=CCSCC(O)CS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.34
APEX1 P27695 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
SCHEMBL11023540 0.79 ALOX5 (0.53) ALOX5SMN1; SMN2
SCHEMBL2162451 0.77 SLC22A6 (0.47) SLC22A6APEX1
SCHEMBL5320940 0.73
SCHEMBL9374822 0.73 ALOX5 (0.46) ALOX5SMN1; SMN2
Water SCHEMBL11884909 0.73 SLC22A6 (0.44) SLC22A6APEX1
SCHEMBL5613863 0.71
SCHEMBL11880486 0.71
SCHEMBL27615249 0.71
SCHEMBL8604460 0.70
Diallyl Sulfide SCHEMBL27495420 0.70 ALOX5 (0.55) ALOX5SMN1; SMN2

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-4118439-A IONICALLY CROSSLINKED QUATERNARY AMMONIUM POLYMER RHONE-POULENC S.A. (FR) 1978-10-03 US disclosed