SCHEMBL28520869

SCHEMBL28520869

CC(C)(C)OC(=O)NCCCN1CCCC[C@H](OC(N)=O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
DRD2 P14416 9/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
CNR2 P34972 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1L1 Q9UHC9 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL28520872 1.00 EPHX1 (0.43) EPHX1DRD2MAOAMAOBACHE
SCHEMBL28507288 0.96 MAOA (0.43) EPHX1DRD2MAOAMAOBACHE
SCHEMBL28507292 0.96 MAOA (0.43) EPHX1DRD2MAOAMAOBACHE
SCHEMBL28938875 0.88 EPHX1 (0.42) EPHX1DRD2ACHEBACE1CNR2
SCHEMBL28938876 0.81 F2 (0.48) EPHX1DRD2ACHEBACE1CNR2
SCHEMBL19965194 0.81 F2 (0.48) EPHX1DRD2ACHEBACE1CNR2
SCHEMBL29004599 0.80 CTSK (0.35) F2F10PRSS1
SCHEMBL29004598 0.80 CTSK (0.35) F2F10PRSS1
SCHEMBL23005330 0.80 EPHX1 (0.44) EPHX1DRD2ACHEBACE1CNR2
SCHEMBL23005331 0.80 EPHX1 (0.44) EPHX1DRD2ACHEBACE1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110139644-B Compositions and methods for treating insulin resistance 坦普尔大学 2023-05-23 CN disclosed
CN-115461049-A (S) -2-amino-6- ((3-aminopropyl) amino) hexanoic Acid (APL) for the treatment of non-alcoholic steatohepatitis (NASH), liver inflammation, hepatocellular ballooning, liver fibrosis and steatosis 坦普尔大学 2022-12-09 CN disclosed
CN-112088006-A Compositions and methods for treating insulin resistance 坦普尔大学 2020-12-15 CN disclosed