SCHEMBL3375329

SCHEMBL3375329

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.32
CTSK P43235 3/20 0.31
BTK Q06187 1/20 0.31
EPHX2 P34913 1/20 0.31
PSMB5 P28074 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
SCHEMBL3377789 0.75 ALOX15 (0.46) MAPK1
SCHEMBL3399726 0.74
SCHEMBL3378153 0.74
SCHEMBL3375332 0.73 EPHX1 (0.39) MEN1MAPK1KMT2AEPHX1CTSK
SCHEMBL3373876 0.73 CTSL (0.33) MEN1MAPK1KMT2ACTSK
SCHEMBL3398243 0.72 MEN1 (0.38) MEN1MAPK1KMT2ACTSKBTK
SCHEMBL3389134 0.72 MEN1 (0.38) MEN1MAPK1KMT2ACTSKBTK
SCHEMBL3375121 0.72 MEN1 (0.38) MEN1MAPK1KMT2ACTSKBTK
SCHEMBL3375108 0.72 NPSR1 (0.38) MEN1MAPK1KMT2AEPHX1CTSK
SCHEMBL15295683 0.70 CTSK (0.39) MEN1MAPK1KMT2AEPHX1CTSK

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