SCHEMBL21063602

SCHEMBL21063602

CC(C)(C)OC(=O)N1CC(c2csc(C(=O)O)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.40
KDM4E B2RXH2 3/20 0.39
NR1H2 P55055 1/20 0.38
RORC P51449 1/20 0.37
FEN1 P39748 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
TMIGD3 P0DMS9 1/20 0.36
ADORA1 P30542 1/20 0.36
HPGDS O60760 1/20 0.36
UCHL1 P09936 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL18765254 0.77 GPR119 (0.39) USP30KDM4ENR1H2RORCGPR119
SCHEMBL31704738 0.76 EED (0.50) KDM4EGPR119MAPTTHRBMEN1
SCHEMBL2279416 0.75 KDM4E (0.48) USP30KDM4EGPR119HPGDSMAPT
SCHEMBL25900920 0.75 KDM4E (0.41) USP30KDM4ENR1H2FEN1GPR119
SCHEMBL3466672 0.74 KDM4E (0.46) USP30KDM4ERORCGPR119HPGDS
SCHEMBL20163062 0.74 CKS1B (0.52) GPR119MAPTALDH1A1
SCHEMBL27188465 0.74 KDM4E (0.43) KDM4ENR1H2RORCGPR119MAPT
SCHEMBL31284927 0.74 GRM1 (0.41) USP30GPR119ADORA1
SCHEMBL9947823 0.74 HSD11B1 (0.44) USP30KDM4ENR1H2GPR119MAPT
SCHEMBL23705673 0.73 TRPV3 (0.46) USP30KDM4EFEN1HPGDSMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed