SCHEMBL28864628

SCHEMBL28864628

CC1CN(CC(=O)OC(C)(C)C)CCO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.38
PLA2G5 P39877 2/20 0.38
PDK1 Q15118 1/20 0.37
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLRA1 P23415 1/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM1A O60341 1/20 0.34
HTR4 Q13639 1/20 0.34
DRD1 P21728 1/20 0.33
ENPP2 Q13822 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR1H2 P55055 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
SCHEMBL28864556 1.00 PLA2G10 (0.38) PLA2G10PLA2G5PDK1USP2SMN1; SMN2
SCHEMBL28864624 1.00 PLA2G10 (0.38) PLA2G10PLA2G5PDK1USP2SMN1; SMN2
SCHEMBL12233169 0.83 PDK1 (0.40) PDK1SMN1; SMN2GLRA1WNT1GSK3B
SCHEMBL28864640 0.82 HRH3 (0.39) PLA2G10PLA2G5PDK1USP2SMN1; SMN2
SCHEMBL28864621 0.82 HRH3 (0.39) PLA2G10PLA2G5PDK1USP2SMN1; SMN2
SCHEMBL28864578 0.81 MEN1 (0.42) PLA2G10PLA2G5SMN1; SMN2KDM4EALDH1A1
SCHEMBL28864553 0.81 MEN1 (0.42) PLA2G10PLA2G5SMN1; SMN2KDM4EALDH1A1
SCHEMBL28864583 0.80 PLA2G10 (0.33) PLA2G10PLA2G5USP2SMN1; SMN2WNT1
SCHEMBL715037 0.77 HSD17B10 (0.50) PDK1GLRA1WNT1GSK3BDYRK1A
SCHEMBL8570719 0.77 PDK1 (0.43) PDK1GLRA1WNT1GSK3BDYRK1A

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-115244047-A Indazole derivative and application thereof in medicine 四川海思科制药有限公司 2022-10-25 CN disclosed