SCHEMBL4079112

SCHEMBL4079112

CNC1CCCN(C(=O)OCC(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.49
HSD11B1 P28845 1/20 0.43
CASP6 P55212 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL5307775 0.94 THRB (0.49) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL5308786 0.83 THRB (0.62) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL14011496 0.81 RAB9A (0.50) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL3718960 0.81 RAB9A (0.52) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL4074760 0.79 RAB9A (0.51) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL12233216 0.79 RAB9A (0.51) THRBATML3MBTL1RAB9ASMN1; SMN2
SCHEMBL5407237 0.79 MEN1 (0.52) THRBATML3MBTL1RAB9ASMN1; SMN2
SCHEMBL704010 0.78 RAB9A (0.51) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL1487944 0.78 THRB (0.68) THRBATML3MBTL1GAAKDM4E
SCHEMBL3768429 0.78 KMT2A (0.55) THRBATML3MBTL1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed