SCHEMBL14511408

SCHEMBL14511408

CC[C@H](Cc1ccc(C)cc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.80
▸ CXCR1 P25024 15/20 0.80
▸ CCR7 P32248 1/20 0.63
▸ 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
SCHEMBL12260550 0.92 CXCR2 (0.84) CXCR2CXCR1CCR6
SCHEMBL12086679 0.92 CXCR2 (0.84) CXCR2CXCR1CCR6
SCHEMBL12262587 0.92 CXCR2 (0.84) CXCR2CXCR1CCR6
SCHEMBL12086755 0.90 CXCR2 (1.00) CXCR2CXCR1CCR7CCR6
SCHEMBL12262581 0.86 CXCR2 (0.89) CXCR2CXCR1CCR7CCR6
SCHEMBL12086662 0.86 CXCR2 (0.89) CXCR2CXCR1CCR7CCR6
SCHEMBL12576508 0.85 CXCR2 (0.85) CXCR2CXCR1CCR7CCR6
SCHEMBL12576506 0.85 CXCR2 (0.85) CXCR2CXCR1CCR7CCR6
SCHEMBL12260515 0.85 CXCR2 (0.73) CXCR2CXCR1CCR7CCR6
SCHEMBL12260509 0.84 CXCR2 (0.71) 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-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 — — EP disclosed
Send feedback