SCHEMBL10499223

SCHEMBL10499223

CCCS(=O)(=O)CC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
FAAH O00519 3/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL10498967 0.88 FAAH (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL8413025 0.86 GAA (0.55) GAAMGAMSIMGAM2KMT2A
SCHEMBL11232767 0.85 GAA (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL11220004 0.84 GAA (0.52) GAAMGAMSIMGAM2KMT2A
SCHEMBL11232629 0.83 CYP1A2 (0.48) GAAMGAMSIMGAM2KMT2A
SCHEMBL11226349 0.83 GAA (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL11219762 0.82 GAA (0.41) GAAMGAMSIMGAM2KMT2A
SCHEMBL11228333 0.82 GAA (0.41) GAAMGAMSIMGAM2KMT2A
SCHEMBL11221721 0.80 GAA (0.45) GAAMGAMSIMGAM2KMT2A
SCHEMBL11224831 0.80 GAA (0.40) GAAMGAMSIMGAM2KMT2A

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
US-4822814-A PREVENTING OR TREATING LIVER DISORDERS; FUNGICIDES; OR PREVENTING ACCUMULATION OF FAT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1989-04-18 US disclosed
EP-0242061-A2 New 1,3-dithiol-2-ylidene-alkylsulfonylacetates and their uses HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1987-10-21 EP disclosed