SCHEMBL5308786

SCHEMBL5308786

CC(C)COC(=O)N1CCC(NC2CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
RAB9A P51151 1/20 0.48
HSD11B1 P28845 1/20 0.47
GAA P10253 2/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.42
KIT P10721 1/20 0.41
NOS2 P35228 3/20 0.41
NOS3 P29474 2/20 0.41
CASP6 P55212 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NOS1 P29475 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 0.89 THRB (0.49) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL704010 0.84 RAB9A (0.51) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL5968252 0.83 KDM4E (0.46) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL2321238 0.83 KMT2A (0.49) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL4079112 0.83 THRB (0.51) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL794087 0.83 RAB9A (0.50) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL8262844 0.83 RAB9A (0.50) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL793658 0.81 RAB9A (0.49) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL4633597 0.81 RAB9A (0.49) THRBATML3MBTL1RAB9AHSD11B1
SCHEMBL4632551 0.81 RAB9A (0.49) THRBATML3MBTL1RAB9AHSD11B1

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-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed