SCHEMBL4745932

SCHEMBL4745932

CC1CN(CC=O)CC(C)O1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
EBP Q15125 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
PDK1 Q15118 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP2A13 Q16696 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4000984 1.00 SIGMAR1 (0.44) SIGMAR1EBPSMN1; SMN2PDK1KDM4E
SCHEMBL2560730 0.78 SIGMAR1 (0.50) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL22772885 0.78
SCHEMBL16764751 0.77 SIGMAR1 (0.44) SIGMAR1EBPSMN1; SMN2PDK1KDM4E
SCHEMBL10815846 0.77 SIGMAR1 (0.44) SIGMAR1EBPSMN1; SMN2PDK1KDM4E
SCHEMBL1072148 0.77 SIGMAR1 (0.44) SIGMAR1EBPSMN1; SMN2PDK1KDM4E
SCHEMBL29946367 0.75 PDK1 (0.41) PDK1
SCHEMBL28976304 0.75 PDK1 (0.41) PDK1
SCHEMBL4317035 0.74 MAPK8 (0.39) SIGMAR1EBPSMN1; SMN2PDK1KDM4E
SCHEMBL14038431 0.73 SIGMAR1 (0.34) SIGMAR1KDM4EHTTALDH1A1MEN1

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-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed