SCHEMBL6823792

SCHEMBL6823792

CCOC(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1.CCOC(=O)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.60
CXCR2 P25025 3/20 0.60
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPT P10636 4/20 0.51
MAPK1 P28482 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 1/20 0.51
KCNMA1 Q12791 1/20 0.49
TRPV1 Q8NER1 2/20 0.47

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
SCHEMBL5596143 0.92 MEN1 (0.61) CXCR1CXCR2SMN1; SMN2ALDH1A1CA12
SCHEMBL5594902 0.92 CXCR1 (0.63) CXCR1CXCR2SMN1; SMN2ALDH1A1GAA
SCHEMBL7487656 0.91 CXCR1 (0.58) CXCR1CXCR2SMN1; SMN2ALDH1A1CA12
SCHEMBL6823794 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1GAACA12CA1
SCHEMBL5595490 0.83 CXCR1 (0.63) CXCR1CXCR2SMN1; SMN2CA12CA1
SCHEMBL7367856 0.77 LMNA (0.70) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL5595180 0.77 CXCR2 (1.00) CXCR1CXCR2ALDH1A1GAAMEN1
SCHEMBL31222305 0.77 CXCR2 (1.00) CXCR1CXCR2ALDH1A1GAAMEN1
SCHEMBL5595009 0.77 CXCR1 (0.84) CXCR1CXCR2SMN1; SMN2ALDH1A1CA12
SCHEMBL5594899 0.75 KMT2A (0.63) CXCR1CXCR2SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed