SCHEMBL6817638

SCHEMBL6817638

COC(=O)c1c(C#N)cccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.47
BRD4 O60885 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 1/20 0.46
FOLH1 Q04609 1/20 0.46
HPGD P15428 2/20 0.46
XDH P47989 1/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PTGER1 P34995 1/20 0.45
TSHR P16473 1/20 0.45
RXRA P19793 1/20 0.44

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
SCHEMBL21884498 0.84 XDH (0.48) MRGPRX4LMNAHPGDXDH
SCHEMBL24066320 0.83 XDH (0.50) MRGPRX4HPGDXDHALDH1A1
SCHEMBL21884785 0.82 MAOB (0.47) MRGPRX4LMNAHPGDXDH
SCHEMBL9724299 0.81 HPGD (0.56) SGMS2BRD4LMNAMAPTL3MBTL1
SCHEMBL5120937 0.81 CA12 (0.59) SGMS2BRD4MRGPRX4LMNAMAPT
SCHEMBL1097551 0.81 SGMS2 (0.54) SGMS2BRD4LMNAMAPTL3MBTL1
SCHEMBL3647437 0.80 RAB9A (0.60) LMNAMAPTL3MBTL1RAB9AHPGD
SCHEMBL29158062 0.80 ALDH1A1 (0.50) MAPTRAB9AHPGDALDH1A1TSHR
SCHEMBL12082183 0.79 SMPD1 (0.50) MRGPRX4LMNAL3MBTL1RAB9AHPGD
SCHEMBL3648209 0.79 RXRA (0.60) LMNAMAPTL3MBTL1RAB9AHPGD

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-1152675-C IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-06-09 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