SCHEMBL13808747

SCHEMBL13808747

CC[C@@H](NC1C(=O)C(=O)C1Nc1cccc(C(=O)NC)c1O)c1ccc(C)o1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 19/20 0.64
▸ CXCR1 P25024 10/20 0.64
▸ CCR6 P51684 2/20 0.64
▸ CXCR3 P49682 1/20 0.64
▸ CCR4 P51679 1/20 0.64
▸ CCR7 P32248 1/20 0.49

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
SCHEMBL12310859 0.89 CXCR2 (0.64) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL18556232 0.78 CXCR1 (1.00) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL13243271 0.78 CXCR2 (0.83) CXCR2CXCR1CCR6CCR7
SCHEMBL14450193 0.75 CXCR2 (0.48) CXCR2CXCR1CCR6CXCR3CCR4
SCHEMBL13208831 0.74 CXCR2 (0.79) CXCR2CXCR1CCR6CCR7
SCHEMBL13207901 0.72 CXCR2 (0.62) CXCR2CXCR1CCR6CCR7
SCHEMBL12572429 0.69 CXCR2 (0.64) CXCR2CXCR1
SCHEMBL12262972 0.68 CXCR2 (1.00) CXCR2CXCR1CCR6CCR7
SCHEMBL12573315 0.68 CXCR2 (0.85) CXCR2CXCR1CCR6CCR7
SCHEMBL14100687 0.68 CXCR2 (0.44) CXCR2CXCR1CCR6CXCR3CCR4

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
WO-2009073683-A2 METHODS OF TREATING COPD SCHERING CORPORATION (US) 2009-06-11 — — WO disclosed
Send feedback