SCHEMBL29134524

SCHEMBL29134524

CC1(C)OB(c2cccc(C3CS(=O)(=O)C3)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.42
LPL P06858 8/20 0.42
ROCK1 Q13464 1/20 0.33
HIF1A Q16665 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CSF1R P07333 1/20 0.32
P4HB P07237 1/20 0.32
BACE1 P56817 1/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL30016964 1.00 LIPG (0.42) LIPGLPLROCK1HIF1AIRAK4
SCHEMBL1821378 0.83 LIPG (0.47) LIPGLPLROCK1HIF1AIRAK4
SCHEMBL27265290 0.81 LIPG (0.44) LIPGLPLHIF1AIRAK4
SCHEMBL27248072 0.81 LIPG (0.44) LIPGLPLROCK1HIF1AIRAK4
SCHEMBL26113775 0.81 LIPG (0.44) LIPGLPLHIF1AIRAK4
SCHEMBL23484493 0.79 HIF1A (0.45) LIPGLPLHIF1AIRAK4
SCHEMBL26476768 0.76 LIPG (0.41) LIPGLPLROCK1HIF1AIRAK4
SCHEMBL31312916 0.76 LIPG (0.41) LIPGLPLROCK1HIF1AIRAK4
SCHEMBL19471858 0.75 LIPG (0.44) LIPGLPLROCK1IRAK4
SCHEMBL16783747 0.74 LIPG (0.47) LIPGLPLIRAK4CA1CA2

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
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed