SCHEMBL28419440

SCHEMBL28419440

COc1ncc(Br)c(C)c1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ CCR4 P51679 6/20 0.32
▸ S100A9 P06702 4/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ ABHD6 Q9BV23 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
SCHEMBL28421207 0.83 CCR4 (0.32) CCR4S100A9
SCHEMBL28423242 0.79 KDM4E (0.34) —
SCHEMBL16996892 0.77 PIK3C3 (0.51) PIK3C3CCR4S100A9
SCHEMBL28145289 0.75 CSNK2A1 (0.36) PIK3C3CCR4
SCHEMBL13674949 0.74 GAA (0.33) —
SCHEMBL28427711 0.73 KDM4E (0.31) —
SCHEMBL18613842 0.72 PRKDC (0.38) CCR4S100A9
SCHEMBL21634877 0.72 GAA (0.32) —
SCHEMBL2824866 0.71 S100A9 (0.49) CCR4S100A9
SCHEMBL9952844 0.71 POLB (0.38) CNR1CNR2ABHD6

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
CN-111359662-B Copper ligand catalyst, preparation method thereof and application thereof in mandelic acid oxidation reaction 万华化学集团股份有限公司(CN) 2023-01-13 — — CN disclosed
CN-111359662-A Copper ligand catalyst, preparation method thereof and application thereof in mandelic acid oxidation reaction 万华化学集团股份有限公司 2020-07-03 — — CN disclosed
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