SCHEMBL28928396

SCHEMBL28928396

CN(C)C(=NCC(=O)O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.32
FFAR3 O14843 1/20 0.32
PHF8 Q9UPP1 3/20 0.31
KDM2A Q9Y2K7 3/20 0.31
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30

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
SCHEMBL15520994 0.77 HSD17B10 (0.42) HSD17B10CYP1A2CYP2D6TSHRALDH1A1
Propionic Acid SCHEMBL29527156 0.69 FFAR3 (0.40) HSD17B10TSHRALDH1A1FFAR3
SCHEMBL8641652 0.69
Propionic Acid SCHEMBL29604684 0.67 FFAR3 (0.50) HSD17B10TSHRALDH1A1NFKB1THPO
SCHEMBL25438034 0.65 CYP1A2 (0.45) HSD17B10CYP1A2CYP2D6HIF1AFFAR3
SCHEMBL4056656 0.65
SCHEMBL5678982 0.65
SCHEMBL17489047 0.63 CYP1A2 (0.39) HSD17B10CYP1A2CYP2D6HIF1AFFAR3
SCHEMBL6759772 0.63 CYP1A2 (0.39) HSD17B10CYP1A2CYP2D6HIF1AFFAR3
SCHEMBL5935091 0.63

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-110746357-B Imidazole diionic liquid and method for catalytic synthesis of cyclic carbonate by using same 河南大学 2022-10-25 CN disclosed