SCHEMBL20761528

SCHEMBL20761528

CN(C)S(=O)(=O)c1c(Cl)ccc(NC2=C(NC3(c4cccc(F)c4)CCC3)C(O)C2=O)c1O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 20/20 0.73

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
SCHEMBL20721131 0.84 CCR6 (1.00) CCR6
SCHEMBL20761137 0.80 CCR6 (0.69) CCR6
SCHEMBL20721306 0.75 CCR6 (1.00) CCR6
SCHEMBL20721191 0.73 CCR6 (1.00) CCR6
SCHEMBL20760157 0.73 CCR6 (0.68) CCR6
SCHEMBL20732947 0.72 CCR6 (0.96) CCR6
SCHEMBL20721192 0.72 CCR6 (1.00) CCR6
SCHEMBL24755206 0.71 CCR6 (0.93) CCR6
SCHEMBL20721208 0.71 CCR6 (1.00) CCR6
SCHEMBL20760274 0.71 CCR6 (0.71) 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
Send feedback