SCHEMBL6458723

SCHEMBL6458723

CC(CC=Cc1ccc[n+]([O-])c1)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CTSK P43235 6/20 0.36
CTSS P25774 5/20 0.36
ATM Q13315 2/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MAPT P10636 2/20 0.35
AAK1 Q2M2I8 3/20 0.34
EPHX2 P34913 1/20 0.34
MMP13 P45452 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL7529058 0.87 SYK (0.40) CA2CTSKCTSSATMCTSL
SCHEMBL3322756 0.79 MMP13 (0.34) AAK1MMP13
SCHEMBL7529061 0.79 CA2 (0.40) CA2CA1CA4CA7CA9
SCHEMBL3322749 0.79 MMP13 (0.34) AAK1MMP13
SCHEMBL10399064 0.77 CHRNB2 (0.60) MAPTNFKB1
SCHEMBL10399063 0.77 CHRNB2 (0.60) MAPTNFKB1
SCHEMBL618093 0.77 CHRNB2 (0.54)
SCHEMBL7099544 0.73 PDK2 (0.33) MMP13
SCHEMBL6458719 0.73 RAB9A (0.42) CA2CA1CA4CA7CA9
SCHEMBL2837459 0.72 CTSK (0.50) CA2CA1CA7CTSKCTSS

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-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP disclosed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO disclosed