SCHEMBL3375124

SCHEMBL3375124

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
EPHX2 P34913 1/20 0.32
BTK Q06187 1/20 0.31
CACNA1H O95180 1/20 0.31
CTSK P43235 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL3378203 0.74 BTK (0.35) MEN1MAPK1KMT2ABTKCTSK
SCHEMBL3383031 0.72 GAA (0.39) MEN1MAPK1KMT2ABTKCTSK
SCHEMBL3375121 0.71 MEN1 (0.38) MEN1MAPK1KMT2ABTKCTSK
SCHEMBL3398243 0.71 MEN1 (0.38) MEN1MAPK1KMT2ABTKCTSK
SCHEMBL3389134 0.71 MEN1 (0.38) MEN1MAPK1KMT2ABTKCTSK
SCHEMBL16677092 0.69 MEN1 (0.40) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL28383493 0.68 MEN1 (0.39) MEN1MAPK1KMT2AEPHX2BTK
SCHEMBL23562282 0.66 MEN1 (0.43) MEN1MAPK1KMT2AEPHX2BTK
SCHEMBL25126862 0.66 MEN1 (0.43) MEN1MAPK1KMT2AEPHX2BTK
SCHEMBL29049022 0.66 MEN1 (0.43) MEN1MAPK1KMT2AEPHX2BTK

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