SCHEMBL3932037

SCHEMBL3932037

CCCCOC(=O)N1CC(O)C(CCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
ADORA3 P0DMS8 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
CTSK P43235 3/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
BCHE P06276 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL7874875 0.84 ADORA3 (0.46) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL7874873 0.84 ADORA3 (0.46) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL7874870 0.84 ADORA3 (0.46) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL19100844 0.83 L3MBTL1 (0.47) L3MBTL1CTSKTSHRALDH1A1TDP1
SCHEMBL19992035 0.80 SMN1; SMN2 (0.51) HTR2ASIGMAR1CTSKALDH1A1CYP3A4
SCHEMBL1573158 0.79 JAK2 (0.46) GAA
SCHEMBL1573262 0.79 JAK2 (0.46) GAA
SCHEMBL8527336 0.78 SIGMAR1 (0.51) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL18498621 0.77 LMNA (0.56) L3MBTL1TSHRALDH1A1TDP1BCHE
SCHEMBL8707514 0.76 SMN1; SMN2 (0.55) HTR2ASIGMAR1CTSKALDH1A1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590360-A4 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES IND RES LTD (NZ) 2009-06-24 EP disclosed
EP-1590360-A1 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES INDUSTRIAL RESEARCH LIMITED (NZ) 2005-11-02 EP disclosed
WO-2004069856-A1 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES INDUSTRIAL RESEARCH LIMITED (NZ) 2004-08-19 WO disclosed