SCHEMBL27366305

SCHEMBL27366305

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 2/20 0.49
SCN4A P35499 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SCN5A Q14524 1/20 0.45
SCN3A Q9NY46 1/20 0.45
USP30 Q70CQ3 1/20 0.45
KDM4E B2RXH2 2/20 0.44
UCHL1 P09936 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
SCHEMBL7422735 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10NPC1LMNANPSR1
SCHEMBL12057492 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10NPC1LMNANPSR1
SCHEMBL6284656 0.87 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10NPC1LMNANPSR1
SCHEMBL5403510 0.84 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10NPC1LMNANPSR1
SCHEMBL2848716 0.84 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10NPC1LMNANPSR1
SCHEMBL15307926 0.84 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10NPC1LMNANPSR1
SCHEMBL3591879 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10NPC1LMNANPSR1
SCHEMBL11032344 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10NPC1LMNANPSR1
SCHEMBL4473488 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10NPC1LMNANPSR1
SCHEMBL8237595 0.82 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10NPC1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed