SCHEMBL7997176

SCHEMBL7997176

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
GABRR1 P24046 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CYP1A2 P05177 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
BLM P54132 1/20 0.33
CA7 P43166 1/20 0.33
CPB2 Q96IY4 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL10473405 0.83 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL17898137 0.83 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL12184114 0.81 CA14 (0.36) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL26508490 0.81 CA14 (0.36) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL8229172 0.81 CA14 (0.36) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL7997178 0.80 MEN1 (0.33) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL5402224 0.80 MAPK1 (0.37) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL28333584 0.79 CA2 (0.42) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL6687835 0.78 HDAC6 (0.39) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL8341453 0.78 HDAC6 (0.35) HDAC6HDAC1HDAC2CA1CA2

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