SCHEMBL6818159

SCHEMBL6818159

COC(=O)c1c(O)cccc1C#N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.69
CA1 P00915 4/20 0.69
CA2 P00918 4/20 0.69
CA7 P43166 4/20 0.69
CA9 Q16790 4/20 0.69
CA14 Q9ULX7 4/20 0.69
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
THRB P10828 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM5A P29375 1/20 0.40
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
APP P05067 1/20 0.39
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL1519936 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL835978 0.83 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL2383149 0.83 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL28316970 0.81 POLB (0.48) CA12CA1CA2CA7CA9
SCHEMBL29158062 0.81 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL13162557 0.81 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL4958909 0.78 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL23874994 0.78 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL836894 0.78 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL5472588 0.76 TDP1 (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1494424-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-05-05 CN disclosed
EP-1191934-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-04 EP disclosed
EP-0929302-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-31 EP disclosed
EP-1191934-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-04-03 EP disclosed
US-6204294-B1 GUANIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2001-03-20 US disclosed
WO-2000076516-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
CN-1232398-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-10-20 CN disclosed
EP-0929302-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-21 EP disclosed
WO-1998006397-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-19 WO disclosed