SCHEMBL7997178

SCHEMBL7997178

CC(CN(OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
BLM P54132 1/20 0.31
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL6687374 0.82 HDAC6 (0.33) L3MBTL1HDAC6HDAC1HDAC2CA1
SCHEMBL7997176 0.80 MEN1 (0.35) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL17898137 0.79 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL10473405 0.79 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL28546389 0.78 HDAC6 (0.35) L3MBTL1HDAC6HDAC1HDAC2
SCHEMBL26508490 0.73 CA14 (0.36) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL12184114 0.73 CA14 (0.36) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL8229172 0.73 CA14 (0.36) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL7996703 0.71 HDAC6 (0.37) MEN1GAAKMT2AL3MBTL1HDAC6
SCHEMBL7106544 0.69 HDAC6 (0.36) L3MBTL1HDAC6HDAC1HDAC2

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-2001066530-A1 URETHANE β-AMINO ACID β-CARBOXYANHYDRIDES, PREPARATION METHOD AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-09-13 WO disclosed