SCHEMBL15434986

SCHEMBL15434986

CCC(Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N(CC)OC)c2O)c(=O)c1=O)C1CCC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 19/20 0.53
▸ CXCR2 P25025 1/20 0.52

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
SCHEMBL2520646 1.00 CCR6 (0.53) CCR6CXCR2
SCHEMBL13494940 1.00 CCR6 (0.53) CCR6CXCR2
SCHEMBL12205444 0.92 CCR6 (0.57) CCR6CXCR2
SCHEMBL20452591 0.91 CXCR2 (0.63) CCR6CXCR2
SCHEMBL1579026 0.91 CXCR2 (0.63) CCR6CXCR2
SCHEMBL30515703 0.91 CXCR2 (0.63) CCR6CXCR2
SCHEMBL1705955 0.90 CCR6 (0.54) CCR6CXCR2
SCHEMBL1706337 0.89 CCR6 (0.56) CCR6CXCR2
SCHEMBL1706485 0.89 CCR6 (0.64) CCR6
SCHEMBL1706049 0.89 CCR6 (0.55) 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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