SCHEMBL30386459

SCHEMBL30386459

CCOC(=O)C(CCNC(=O)OC(C)(C)C)NC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CTSK P43235 5/20 0.39
CTSS P25774 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL15159978 0.88 MEN1 (0.51) MEN1KMT2AGAAHTTTDP1
SCHEMBL20556183 0.88 MEN1 (0.51) MEN1KMT2AGAAHTTTDP1
SCHEMBL3175852 0.83 CYP1A2 (0.49) MEN1KMT2AGAACYP1A2CYP2C9
SCHEMBL25585071 0.83 MEN1 (0.61) MEN1KMT2AGAAHTTTDP1
SCHEMBL28260257 0.83 MEN1 (0.61) MEN1KMT2AGAAHTTTDP1
SCHEMBL18760388 0.83 MEN1 (0.53) MEN1KMT2AGAACYP1A2CYP2C9
SCHEMBL8017155 0.81 MEN1 (0.51) MEN1KMT2AGAACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5424982 0.81 MEN1 (0.59) MEN1KMT2AGAAHTTTDP1
SCHEMBL8012876 0.81 MEN1 (0.51) MEN1KMT2AGAACYP1A2CYP2C9
SCHEMBL18736992 0.81 MEN1 (0.51) MEN1KMT2AGAAHTTTDP1

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-2023082044-A1 5-FORMYL HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF 暨南大学 2023-05-19 WO disclosed