SCHEMBL4594562

SCHEMBL4594562

CC(C)COC(=O)N1CCC(CCO)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
HSD11B1 P28845 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
AKR1C3 P42330 1/20 0.38
GAA P10253 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
HTT P42858 1/20 0.35
PIK3CD O00329 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
KIT P10721 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
SCHEMBL1692765 0.91 RAB9A (0.46) RAB9AHSD11B1JAK2JAK1AKR1C3
SCHEMBL27357653 0.88 RAB9A (0.43) RAB9AHSD11B1JAK2JAK1GAA
SCHEMBL4687962 0.88 RAB9A (0.46) RAB9AHSD11B1JAK2JAK1GAA
SCHEMBL30885565 0.84 GAA (0.50) AKR1C3GAAHTTNOS3NOS2
SCHEMBL2012460 0.84 RAB9A (0.44) RAB9AHSD11B1JAK2JAK1GAA
SCHEMBL12760596 0.84 RAB9A (0.44) RAB9AHSD11B1JAK2JAK1GAA
SCHEMBL4685564 0.84 RAB9A (0.44) RAB9AHSD11B1JAK2JAK1GAA
SCHEMBL8550495 0.83 RAB9A (0.46) RAB9AHSD11B1JAK2JAK1AKR1C3
SCHEMBL14405029 0.82 RAB9A (0.47) RAB9AHSD11B1JAK2JAK1GAA
SCHEMBL1693216 0.81 RAB9A (0.48) RAB9AHSD11B1JAK2JAK1GAA

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
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed