SCHEMBL6950813

SCHEMBL6950813

CC(C)(C)OC(=O)n1cncc1CC(N)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
PIM1 P11309 1/20 0.32
MARK3 P27448 1/20 0.32
MAP4K2 Q12851 1/20 0.32
CAMK2B Q13554 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
GPR119 Q8TDV5 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL6950815 1.00 BCHE (0.32) BCHEPIM1MARK3MAP4K2CAMK2B
SCHEMBL27677795 0.85 CHRM5 (0.36) GPR119
SCHEMBL16060936 0.78 PIM1 (0.36) BCHEPIM1MARK3MAP4K2CAMK2B
SCHEMBL6555080 0.77 PIM1 (0.35) BCHEPIM1MARK3MAP4K2CAMK2B
SCHEMBL4149607 0.77 PIM1 (0.37) BCHEPIM1MARK3MAP4K2CAMK2B
SCHEMBL20864185 0.76 FAAH (0.43) BCHEPIM1MARK3MAP4K2CAMK2B
SCHEMBL9235001 0.75 PIM1 (0.35) BCHEPIM1MARK3MAP4K2CAMK2B
SCHEMBL2789678 0.75 NR1H2 (0.38) BCHEPIM1MARK3MAP4K2CAMK2B
SCHEMBL8312657 0.74 GPR119 (0.36) BCHEPIM1MARK3MAP4K2CAMK2B
SCHEMBL15874826 0.72 TBXAS1 (0.46) PIM1MARK3MAP4K2CAMK2BPIM3

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
EP-0757677-B1 BENZOCYCLOHEXYLIMIDAZOLETHIONE DERIVATIVES SYNTEX LLC (US) 2003-06-18 EP disclosed