SCHEMBL7212993

SCHEMBL7212993

CC(C)(C)OC(=O)NCCCCCCNC(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.54
CXCR1 P25024 9/20 0.54
DRD2 P14416 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL7211897 0.88 CXCR2 (0.50) CXCR2DRD2
SCHEMBL7211780 0.85 CXCR2 (0.50) CXCR2CXCR1CA1CA2
SCHEMBL7211935 0.84 CXCR2 (0.64) CXCR2CXCR1TDP1L3MBTL1
SCHEMBL4586237 0.81 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL4587033 0.79 CXCR2 (0.58) CXCR2CXCR1
SCHEMBL7211797 0.77 MAOA (0.48) DRD2TDP1CA12CA1CA2
SCHEMBL7503016 0.76 CXCR2 (0.56) CXCR2CXCR1
SCHEMBL31203458 0.76 CA1 (0.53) TDP1CA12CA1CA2CA9
SCHEMBL7216748 0.73 ALDH1A1 (0.45) DRD2TDP1CA12CA1CA2
SCHEMBL4051645 0.73 CA1 (0.58) TDP1L3MBTL1CA12CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237548-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP claimed
EP-1237548-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-09-11 EP claimed
WO-2001034141-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
EP-1237548-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-1237548-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-09-11 EP disclosed
WO-2001034141-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO disclosed