SCHEMBL22345976

SCHEMBL22345976

CC(O)C(=O)OCC(C)(C)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31

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
Di(Hydroxyethyl)Ether SCHEMBL8756144 0.87 TSHR (0.34) TSHRMAPK1
SCHEMBL30925319 0.85 HTT (0.33) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28325238 0.84 ALDH1A1 (0.38) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10280097 0.81 HTT (0.39) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4187826 0.81 HTT (0.39) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10632584 0.80 HTT (0.35) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22346341 0.78 MEN1 (0.32) HTTLMNA
SCHEMBL8520627 0.77 GRM4 (0.33) MAPK1
SCHEMBL17982679 0.74 HTT (0.67) HTTHSD17B10TP53TSHRCYP2C9
SCHEMBL8012500 0.74 TSHR (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
WO-2020166678-A1 COSMETIC INGREDIENT, COSMETIC, AND PRODUCTION METHOD FOR COSMETIC ミヨシ油脂株式会社 2020-08-20 WO disclosed