SCHEMBL19978897

SCHEMBL19978897

CC1=CCN(C(=O)OC(C)(C)C)CC1N(O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NR1H2 P55055 1/20 0.36
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDK4 Q16654 1/20 0.34
JAK3 P52333 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 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
SCHEMBL19759343 0.77 NR1H2 (0.41) GPR119NR1H2MAPTPDK4USP2
SCHEMBL19978893 0.73 NFKB1 (0.32) GPR119DDB1CRBNNR1H2JAK3
SCHEMBL19978859 0.72 GPR119 (0.37) GPR119NR1H2MAPTALDH1A1MAPK1
SCHEMBL19978789 0.72 GPR119 (0.37) GPR119NR1H2MAPTALDH1A1MAPK1
SCHEMBL24493585 0.70 KDM4E (0.42) GPR119NR1H2MAPTPDK4USP2
SCHEMBL21135638 0.69 NR1H2 (0.41) GPR119NR1H2MAPTMAPK1PDK4
SCHEMBL31045555 0.69 HSD17B10 (0.41) GPR119NR1H2MAPTALDH1A1USP2
SCHEMBL16052286 0.68 NR1H2 (0.40) GPR119NR1H2MAPTMAPK1PDK4
SCHEMBL16052666 0.68 USP30 (0.40) GPR119NR1H2MAPTMAPK1PDK4
SCHEMBL16052285 0.68 NR1H2 (0.40) GPR119NR1H2MAPTMAPK1PDK4

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-2018053215-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2018-03-22 WO disclosed