SCHEMBL3371165

SCHEMBL3371165

CCCCCCCCCCCCCCCCCC(CC=O)(CCCCCCCCCCCCCCCCC)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSK P43235 13/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL248504 1.00 MEN1 (0.39) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL3372617 0.88 CA1 (0.37) MEN1KMT2ACTSKTDP1MAOA
SCHEMBL14733164 0.83 TDP1 (0.42) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL6240167 0.83 TDP1 (0.42) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL6240076 0.83 TDP1 (0.42) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL6241926 0.77 MEN1 (0.40) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL6256456 0.77 MEN1 (0.40) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL18124815 0.77 MEN1 (0.39) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL19520048 0.77 MEN1 (0.39) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL21123639 0.76 ALDH1A1 (0.43) MEN1MAPTKMT2AATML3MBTL1

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