SCHEMBL16082201

SCHEMBL16082201

CCN(CCO)C1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.46
GPR119 Q8TDV5 9/20 0.45
NR1D1 P20393 1/20 0.43
HSD11B1 P28845 1/20 0.42
NR1H2 P55055 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
PIK3CD O00329 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL16993349 0.92 GPR119 (0.49) GPR119HPGD
SCHEMBL34473801 0.90 USP30 (0.50) USP30GPR119NR1D1HSD11B1NR1H2
SCHEMBL19918238 0.90 USP30 (0.50) USP30GPR119NR1D1HSD11B1NR1H2
SCHEMBL19720085 0.85 USP30 (0.46) USP30GPR119NR1D1HSD11B1JAK2
SCHEMBL34473959 0.84 USP30 (0.50) USP30GPR119NR1D1HSD11B1NR1H2
SCHEMBL31075718 0.83 USP30 (0.41) USP30GPR119NR1D1HSD11B1JAK2
SCHEMBL15410506 0.82 GPR119 (0.52) GPR119HPGD
SCHEMBL23555641 0.81 JAK2 (0.60) USP30GPR119NR1D1HSD11B1JAK2
SCHEMBL18429026 0.81 GPR119 (0.51) GPR119HPGD
SCHEMBL20906990 0.81 USP30 (0.52) USP30GPR119HSD11B1JAK2JAK1

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-2014145512-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed