SCHEMBL14511867

SCHEMBL14511867

CC(C)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(O)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 19/20 0.75
▸ CXCR1 P25024 9/20 0.68
▸ CCR7 P32248 1/20 0.66
▸ CCR6 P51684 1/20 0.63

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
SCHEMBL12576644 0.88 CXCR2 (0.79) CXCR2CXCR1CCR7CCR6
SCHEMBL12260485 0.87 CXCR2 (0.82) CXCR2CXCR1CCR7CCR6
SCHEMBL12262382 0.87 CXCR2 (0.82) CXCR2CXCR1CCR7CCR6
SCHEMBL12262392 0.87 CXCR2 (0.87) CXCR2CXCR1CCR7CCR6
SCHEMBL13479561 0.86 CXCR2 (0.79) CXCR2CXCR1
SCHEMBL12086841 0.86 CXCR2 (0.79) CXCR2CXCR1
SCHEMBL12087143 0.85 CXCR2 (0.82) CXCR2CXCR1CCR7CCR6
SCHEMBL12087242 0.85 CXCR2 (0.82) CXCR2CXCR1CCR7CCR6
SCHEMBL12086756 0.85 CXCR2 (0.82) CXCR2CXCR1CCR7CCR6
SCHEMBL12262389 0.85 CXCR2 (0.78) CXCR2CXCR1CCR7CCR6

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-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 — — EP disclosed
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