SCHEMBL13948009

SCHEMBL13948009

CC(C)c1coc([C@H](Nc2n[s+]([O-])nc2Nc2cccc(C(=O)N(C)C)c2O)C2CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.71
▸ CXCR1 P25024 19/20 0.71
▸ CCR7 P32248 1/20 0.48

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
SCHEMBL13207188 0.86 CXCR2 (0.70) CXCR2CXCR1CCR7
SCHEMBL13227096 0.86 CXCR2 (0.58) CXCR2CXCR1
SCHEMBL13207186 0.85 CXCR1 (0.70) CXCR2CXCR1
SCHEMBL13207006 0.85 CXCR1 (0.70) CXCR2CXCR1
SCHEMBL27128903 0.85 CXCR1 (0.70) CXCR2CXCR1
SCHEMBL13207028 0.84 CXCR2 (0.75) CXCR2CXCR1CCR7
SCHEMBL12262847 0.83 CXCR2 (1.00) CXCR2CXCR1CCR7
SCHEMBL13207246 0.83 CXCR1 (0.49) CXCR2CXCR1
SCHEMBL13207252 0.83 CXCR2 (0.49) CXCR2CXCR1CCR7
SCHEMBL13406890 0.82 CXCR2 (0.71) CXCR2CXCR1CCR7

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-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP disclosed
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