SCHEMBL3398243

SCHEMBL3398243

CC(C)(C)OC(=O)N[C@]1(C)[C@H](C=O)C[C@@H]2C[C@H]1C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB5 P28074 5/20 0.32
GAA P10253 1/20 0.31
BTK Q06187 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL3389134 1.00 MEN1 (0.38) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL3375121 1.00 MEN1 (0.38) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL338528 0.77 MEN1 (0.37) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL338526 0.77 MEN1 (0.37) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL338527 0.77 MEN1 (0.37) MEN1MAPK1KMT2APSMB5GAA
SCHEMBL3375329 0.72 MEN1 (0.35) MEN1MAPK1KMT2APSMB5BTK
SCHEMBL3375124 0.71 MEN1 (0.39) MEN1MAPK1KMT2ABTKCTSK
SCHEMBL3378203 0.68 BTK (0.35) MEN1MAPK1KMT2AGAABTK
SCHEMBL3383031 0.66 GAA (0.39) MEN1MAPK1KMT2AGAABTK
SCHEMBL30124181 0.65 MEN1 (0.37) MEN1MAPK1KMT2AGAABTK

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-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 WO disclosed