SCHEMBL27313129

SCHEMBL27313129

CC(C)(C)OC(=O)N(C1CCCC1)n1ccc(S(=O)(=O)O)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.37
CASP3 P42574 1/20 0.34
STS P08842 2/20 0.33
CNR2 P34972 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TP53 P04637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL27331213 0.80 GPR119 (0.33) GPR119STS
SCHEMBL27309891 0.79 GPR119 (0.35) GPR119STSCNR2
SCHEMBL27313130 0.77 CCR5 (0.32) GPR119CCR5
SCHEMBL27311932 0.75 SSTR4 (0.34) GPR119
SCHEMBL27330054 0.75 NR1D1 (0.31) GPR119
SCHEMBL27336559 0.74 GPR119 (0.32) GPR119
SCHEMBL27325460 0.73 JAK2 (0.31)
SCHEMBL27332797 0.73 S1PR3 (0.37)
SCHEMBL7463057 0.72 USP30 (0.34) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL27310843 0.72 S1PR3 (0.40)

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
CN-1050023-A The method for preparing cephalosporin derivative BEECHAM GROUP PLC (GB) 1991-03-20 CN claimed
CN-1050023-A The method for preparing cephalosporin derivative BEECHAM GROUP PLC (GB) 1991-03-20 CN disclosed