SCHEMBL24817867

SCHEMBL24817867

CC(C)(C)OC(=O)NCCCC1CCN(CCC(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 11/20 0.44
TDP1 Q9NUW8 1/20 0.43
CACNA1H O95180 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41

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
SCHEMBL32679900 0.88 SIGMAR1 (0.47) SIGMAR1MEN1GAAKMT2ADRD2
SCHEMBL16095384 0.87 CACNA1H (0.49) SIGMAR1MEN1GAAKMT2ADRD2
SCHEMBL24817860 0.86 MEN1 (0.46) SIGMAR1MEN1GAAKMT2ADRD2
SCHEMBL5033974 0.84 DRD2 (0.48) SIGMAR1MEN1GAAKMT2ADRD2
SCHEMBL5031368 0.83 DRD2 (0.50) SIGMAR1MEN1GAAKMT2ADRD2
SCHEMBL31110037 0.83 DRD2 (0.55) SIGMAR1MEN1GAAKMT2ADRD2
SCHEMBL5031377 0.82 CACNA1H (0.47) SIGMAR1DRD2TDP1CACNA1H
SCHEMBL28484370 0.82 MEN1 (0.49) SIGMAR1MEN1GAAKMT2ADRD2
SCHEMBL5031371 0.81 DRD2 (0.48) SIGMAR1MEN1GAAKMT2ADRD2
SCHEMBL5031510 0.81 DRD2 (0.47) SIGMAR1DRD2TDP1CACNA1H

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
WO-2022270987-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND (주) 업테라 2022-12-29 WO disclosed