SCHEMBL12576517

SCHEMBL12576517

CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 1.00
CXCR1 P25024 5/20 0.81

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
SCHEMBL12576650 1.00 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12087202 0.94 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12262383 0.94 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12086692 0.93 CXCR2 (0.88) CXCR2CXCR1
SCHEMBL12262195 0.90 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12262265 0.90 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12260490 0.90 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12576503 0.89 CXCR2 (0.81) CXCR2CXCR1
SCHEMBL12576505 0.89 CXCR2 (0.81) CXCR2CXCR1
SCHEMBL12576494 0.89 CXCR2 (0.81) 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
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed