SCHEMBL12568166

SCHEMBL12568166

CC1(C)CC(NC(=O)CN)CC(C)(C)N1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.43
MAOB P27338 2/20 0.36
MAPK8 P45983 1/20 0.36
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PKM P14618 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
CA1 P00915 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
SCHEMBL12352252 0.87 GAA (0.50) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL4900433 0.84 GAA (0.48) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL1463814 0.82 GAA (0.47) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL2302254 0.82 GAA (0.50) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL316348 0.82 SMN1; SMN2 (0.48) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL1933229 0.82 GAA (0.47) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL26415573 0.82 GAA (0.47) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL7914274 0.81 GAA (0.43) GAAKDM4EKMT2AMAOBMAPK8
SCHEMBL3769473 0.81 MAPK8 (0.41) GAAKDM4EKMT2AMAPK8MEN1
SCHEMBL4889822 0.81 GAA (0.46) GAAKDM4EKMT2AMAOBMAPK8

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
US-7960439-B1 Environmentally sensitive foldable oligomers IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-06-14 US disclosed