SCHEMBL28507288

SCHEMBL28507288

CC(C)(C)OC(=O)NCCCCCCN1CCCC[C@H](OC(N)=O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
EPHX1 P07099 1/20 0.41
DRD2 P14416 8/20 0.41
MAN2B1 O00754 1/20 0.39
NPC1L1 Q9UHC9 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 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
SCHEMBL28507292 1.00 MAOA (0.43) MAOAMAOBTDP1EPHX1DRD2
SCHEMBL28520872 0.96 EPHX1 (0.43) MAOAMAOBTDP1EPHX1DRD2
SCHEMBL28520869 0.96 EPHX1 (0.43) MAOAMAOBTDP1EPHX1DRD2
SCHEMBL28938875 0.84 EPHX1 (0.42) TDP1EPHX1DRD2MAN2B1NPC1L1
SCHEMBL19965191 0.82 F2 (0.46) MAOAMAOBTDP1EPHX1DRD2
SCHEMBL21066904 0.80 TDP1 (0.42) TDP1EPHX1DRD2MAN2B1CHRM2
SCHEMBL21066903 0.80 TDP1 (0.42) TDP1EPHX1DRD2MAN2B1CHRM2
SCHEMBL23005327 0.79 CHRM2 (0.41) MAOAMAOBTDP1EPHX1DRD2
SCHEMBL23005328 0.79 CHRM2 (0.41) MAOAMAOBTDP1EPHX1DRD2
SCHEMBL29004598 0.78 CTSK (0.35)

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 2 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-112088006-A Compositions and methods for treating insulin resistance 坦普尔大学 2020-12-15 CN disclosed