SCHEMBL5823967

SCHEMBL5823967

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc(C(=N)N)ccc3C2=O)cc1SCC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.45
ITGA2B P08514 11/20 0.45
AOC3 Q16853 2/20 0.36
F2 P00734 3/20 0.36
F10 P00742 2/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
F9 P00740 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2012562 0.92 ITGB3 (0.38) ITGB3ITGA2BAOC3KDM4E
SCHEMBL2014777 0.91 ITGB3 (0.38) ITGB3ITGA2BAOC3KDM4E
SCHEMBL2012955 0.90 ITGB3 (0.37) ITGB3ITGA2BAOC3
SCHEMBL2009678 0.90 ITGB3 (0.47) ITGB3ITGA2BAOC3F2F10
SCHEMBL2014833 0.87 ITGB3 (0.45) ITGB3ITGA2BAOC3TPSAB1TPSD1
SCHEMBL2009871 0.86 GABRA1 (0.37) ITGB3ITGA2BAOC3KDM4E
SCHEMBL2013047 0.85 ITGB3 (0.45) ITGB3ITGA2BAOC3F2F10
SCHEMBL2015632 0.84 ITGB3 (0.53) ITGB3ITGA2BAOC3F10TPSAB1
SCHEMBL2010434 0.83 ITGB3 (0.37) ITGB3ITGA2BAOC3KDM4E
SCHEMBL2009674 0.82 ITGB3 (0.51) ITGB3ITGA2BAOC3F10TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed