SCHEMBL5782142

SCHEMBL5782142

CC(C)OC(=O)COc1ccc(C(=O)CN2C=C3C=CC(C(N)=S)C(=O)C3C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL5783613 0.87 MAPT (0.35) MAPTPOLB
SCHEMBL5786495 0.84 MAPT (0.38) MAPTPOLB
SCHEMBL5788613 0.84 NPC1 (0.41) MAPTPOLB
SCHEMBL5780930 0.82 MAPT (0.32) MAPT
SCHEMBL5783540 0.82 MAPT (0.35) MAPTALDH1A1ITGB3ITGA2BPOLB
SCHEMBL5784888 0.82 HRH3 (0.33) MAPTALDH1A1
SCHEMBL5783451 0.80 TPSAB1 (0.37) MAPTALDH1A1POLB
SCHEMBL5782923 0.80 PDE4B (0.39) ITGB3ITGA2B
SCHEMBL5787100 0.79 ITGB3 (0.41) MAPTITGB3ITGA2B
SCHEMBL5783707 0.78 MAPT (0.32) MAPT

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