SCHEMBL6458719

SCHEMBL6458719

CC(CC=Cc1ccc[nH]c1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 4/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IDO1 P14902 1/20 0.35
TP53 P04637 1/20 0.35
TACR1 P25103 1/20 0.35
CTSS P25774 3/20 0.35
ATM Q13315 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 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
SCHEMBL5198857 0.77 CHRNB2 (0.44) KDM4EMAPTMEN1POLBGAA
SCHEMBL6458723 0.73 CA2 (0.38) CTSKMAPTCTSSATMCA1
SCHEMBL10399063 0.72 CHRNB2 (0.60) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL10399064 0.72 CHRNB2 (0.60) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL2837458 0.71 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL2837459 0.71 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL5196577 0.71 CTSK (0.67) CTSKKMT2ACTSSCA1CA2
SCHEMBL27319770 0.69 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL27017370 0.69 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30170161 0.69 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4EMAPT

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