SCHEMBL7212958

SCHEMBL7212958

CC(C)(C)OC(=O)NCCc1ccc(NC(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(Cl)c3Cl)c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
CXCR2 P25025 7/20 0.44
CX3CR1 P49238 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
MAPK14 Q16539 2/20 0.38
CNR1 P21554 1/20 0.38
DRD2 P14416 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7211780 0.89 CXCR2 (0.50) NAMPTCXCR2MEN1KMT2ALMNA
SCHEMBL7211897 0.85 CXCR2 (0.50) CXCR2CX3CR1MEN1KMT2AMAPT
SCHEMBL7211784 0.81 CXCR2 (0.51) CXCR2CX3CR1MEN1KMT2ALMNA
SCHEMBL7217938 0.81 NAMPT (0.49) NAMPTLMNAMAPTCNR1
SCHEMBL7212951 0.78 NAMPT (0.46) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL6549708 0.77 MEN1 (0.68) CXCR2CX3CR1MEN1KMT2ALMNA
SCHEMBL6564085 0.75 CXCR2 (0.59) CXCR2CX3CR1
SCHEMBL7211781 0.75 NAMPT (0.47) NAMPTMEN1KMT2ALMNAMAPT
SCHEMBL4588723 0.74 CXCR2 (0.60) CXCR2CX3CR1DRD2
SCHEMBL7212993 0.73 CXCR2 (0.54) CXCR2DRD2

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