SCHEMBL28338015

SCHEMBL28338015

CC=CC(=O)N1CCOC(C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 3/20 0.49
▸ GLRA1 P23415 1/20 0.43
▸ VNN1 O95497 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KRAS P01116 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R2 O00459 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32

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
SCHEMBL6043841 0.86 PDK1 (0.51) PDK1GLRA1VNN1ALDH1A1HPGD
SCHEMBL31395068 0.81 PDK1 (0.50) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL31395014 0.81 PDK1 (0.50) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL21641656 0.81 PDK1 (0.50) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL23997789 0.77 ALDH1A1 (0.47) ALDH1A1HPGDPOLBNPC1RAB9A
SCHEMBL2933380 0.76 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL18125963 0.76 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1HPGD
SCHEMBL17776430 0.76 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1NPC1
SCHEMBL3991342 0.76 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1HPGD
SCHEMBL15788160 0.76 PDK1 (0.56) PDK1GLRA1VNN1ALDH1A1NPC1

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-110462797-A Polishing composition FUJIMI INC 2019-11-15 — — CN disclosed
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