SCHEMBL17469815

SCHEMBL17469815

CCCOC(=O)COS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 1/20 0.33
STS P08842 1/20 0.33
GLA P06280 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
TSHR P16473 2/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL9295444 0.88 NAAA (0.47) CA1CA2NAAADGKAALDH1A1
SCHEMBL9294073 0.85 NAAA (0.58) CA1CA2NAAADGKATSHR
SCHEMBL9294753 0.85 NAAA (0.58) CA1CA2NAAADGKATSHR
SCHEMBL4850175 0.85 NAAA (0.58) CA1CA2NAAADGKATSHR
SCHEMBL9294335 0.85 NAAA (0.58) CA1CA2NAAADGKATSHR
SCHEMBL9294068 0.85 NAAA (0.58) CA1CA2NAAADGKATSHR
SCHEMBL9294205 0.85 NAAA (0.58) CA1CA2NAAADGKATSHR
SCHEMBL9294402 0.85 NAAA (0.58) CA1CA2NAAADGKATSHR
SCHEMBL9295463 0.85 NAAA (0.58) CA1CA2NAAADGKATSHR
SCHEMBL9294803 0.85 NAAA (0.58) CA1CA2NAAADGKATSHR

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-20160027592-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2016-01-28 US disclosed