SCHEMBL28617166

SCHEMBL28617166

CN1C(=O)N(CC(=O)OC(C)(C)C)CC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.44
PLA2G5 P39877 2/20 0.44
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP3 P42574 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL28617164 1.00 PLA2G10 (0.44) PLA2G10PLA2G5ALDH1A1KDM4ECASP3
SCHEMBL30191344 1.00 PLA2G10 (0.44) PLA2G10PLA2G5ALDH1A1KDM4ECASP3
SCHEMBL30191487 0.78 PLA2G10 (0.44) PLA2G10PLA2G5ALDH1A1KDM4E
SCHEMBL28607923 0.77 PLA2G10 (0.46) PLA2G10PLA2G5ALDH1A1KDM4E
SCHEMBL28607924 0.77 PLA2G10 (0.46) PLA2G10PLA2G5ALDH1A1KDM4E
SCHEMBL24714971 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15485386 0.72 BRD4 (0.43) ALDH1A1KDM4EKMT2ATP53
SCHEMBL11327841 0.71 HPGD (0.58) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL21995001 0.71 PLA2G10 (0.44) PLA2G10PLA2G5ALDH1A1KDM4ECASP3
SCHEMBL19674208 0.70 HSD17B10 (0.40) ALDH1A1KDM4EMEN1KMT2ATP53

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-113166101-A Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders 诺华股份有限公司 2021-07-23 CN disclosed