SCHEMBL20759825

SCHEMBL20759825

CN(C)S(=O)(=O)c1c(Cl)ccc(NC2=C(NC3CCCCc4ccccc43)C(O)C2O)c1O

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 20/20 0.77

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
SCHEMBL20760323 0.88 CCR6 (0.75) CCR6
SCHEMBL20721136 0.87 CCR6 (1.00) CCR6
SCHEMBL20721180 0.84 CCR6 (1.00) CCR6
SCHEMBL20721179 0.84 CCR6 (1.00) CCR6
SCHEMBL20760156 0.71 CCR6 (0.69) CCR6
SCHEMBL30168122 0.70 CCR6 (1.00) CCR6
SCHEMBL20761373 0.70 CCR6 (0.71) CCR6
SCHEMBL20721275 0.69 CCR6 (1.00) CCR6
SCHEMBL20760444 0.69 CCR6 (0.72) CCR6
SCHEMBL20721204 0.68 CCR6 (1.00) CCR6

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
WO-2019036374-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. (US) 2019-02-21 — — WO disclosed
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