SCHEMBL15434997

SCHEMBL15434997

CON(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@H]3CCCCC3O)c(=O)c2=O)c1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 19/20 0.64
▸ CXCR2 P25025 1/20 0.53

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
SCHEMBL2297354 1.00 CCR6 (0.64) CCR6CXCR2
SCHEMBL2295566 1.00 CCR6 (0.64) CCR6CXCR2
SCHEMBL2298397 0.91 CCR6 (0.64) CCR6CXCR2
SCHEMBL2297511 0.89 CCR6 (0.81) CCR6CXCR2
SCHEMBL2298432 0.86 CCR6 (0.74) CCR6CXCR2
SCHEMBL2298037 0.83 CCR6 (0.69) CCR6CXCR2
SCHEMBL12206184 0.82 CCR6 (0.53) CCR6CXCR2
SCHEMBL2300640 0.82 CCR6 (0.53) CCR6CXCR2
SCHEMBL13494868 0.81 CXCR2 (0.63) CCR6CXCR2
SCHEMBL2293157 0.81 CCR6 (0.74) CCR6CXCR2

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
EP-2310359-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-15 — — EP disclosed
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