SCHEMBL14450117

SCHEMBL14450117

C=C1C(=O)C(Nc2cccc(C(=O)N(C)C)c2O)=C1NC(CC)c1cccc(OCC)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.55
▸ CXCR1 P25024 11/20 0.55

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
SCHEMBL14511859 0.85 CXCR2 (0.71) CXCR2CXCR1
SCHEMBL12087267 0.84 CXCR2 (0.77) CXCR2CXCR1
SCHEMBL13479523 0.82 CXCR2 (0.53) CXCR2CXCR1
SCHEMBL14450106 0.80 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL14511220 0.79 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL18310048 0.79 CXCR2 (0.54) CXCR2CXCR1
SCHEMBL13479581 0.77 CXCR2 (0.54) CXCR2CXCR1
SCHEMBL13479681 0.76 CXCR2 (0.55) CXCR2CXCR1
SCHEMBL12086813 0.76 CXCR2 (0.79) CXCR2CXCR1
SCHEMBL12262343 0.75 CXCR2 (0.77) CXCR2CXCR1

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-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 — — EP disclosed
Send feedback