SCHEMBL17020050

SCHEMBL17020050

CC(C)(C)OC(=O)N1[C@@H](COS(C)(=O)=O)COC1(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.46
HSD11B2 P80365 1/20 0.36
BRD4 O60885 1/20 0.36
HCRTR2 O43614 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR119 Q8TDV5 2/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.31

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
SCHEMBL1835688 0.89 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL3464686 0.87 SPHK1 (0.42) SPHK1HSD11B2BRD4HCRTR2GPR119
SCHEMBL3464690 0.87 SPHK1 (0.42) SPHK1HSD11B2BRD4HCRTR2GPR119
SCHEMBL15209134 0.85 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL15209132 0.85 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL12767436 0.84 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL21187940 0.84 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL27018596 0.83 SPHK1 (0.41) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL10211270 0.83 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL3390081 0.83 SPHK1 (0.39) SPHK1HSD11B2BRD4

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-2015123101-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-08-20 WO disclosed