SCHEMBL4859686

SCHEMBL4859686

CC(C)(C)OC(=O)N1CCC(c2ccc(SS(C)(=O)=O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.59
NAMPT P43490 1/20 0.54
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
STS P08842 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL4514511 0.85 GPR119 (0.73) GPR119NAMPTDDB1CRBNSTS
SCHEMBL4519083 0.84 GPR119 (0.76) GPR119NAMPT
SCHEMBL4183357 0.81 GPR119 (0.57) GPR119NAMPTDDB1CRBNSTS
SCHEMBL18379198 0.81 GPR119 (0.62) GPR119NAMPTDDB1CRBNSTS
SCHEMBL3854559 0.80 NAMPT (0.61) GPR119NAMPTDDB1CRBNSTS
SCHEMBL12117456 0.80 GPR119 (0.65) GPR119NAMPTDDB1CRBNKDM4E
SCHEMBL12321681 0.79 NAMPT (0.60) GPR119NAMPTDDB1CRBNSTS
SCHEMBL18805528 0.79 NAMPT (0.60) GPR119NAMPTDDB1CRBNKDM4E
SCHEMBL2594236 0.79 NAMPT (0.60) GPR119NAMPTDDB1CRBNKDM4E
SCHEMBL270733 0.79 NAMPT (0.60) GPR119NAMPTDDB1CRBNSTS

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-1909791-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2008-04-16 EP disclosed
WO-2007003964-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed