SCHEMBL8629456

SCHEMBL8629456

CCOC(=O)N1CCC(CS(=O)(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
HTT P42858 2/20 0.49
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
ALDH1A1 P00352 6/20 0.47
TSHR P16473 3/20 0.47
CHRM1 P11229 1/20 0.47
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 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
SCHEMBL8434541 0.88 GAA (0.62) GAAL3MBTL1MAPTTP53TDP1
SCHEMBL1273114 0.87 GAA (0.54) GAAL3MBTL1MAPTTP53TDP1
SCHEMBL1273113 0.85 GAA (0.53) GAAL3MBTL1MAPTTP53TDP1
SCHEMBL13644031 0.81 GAA (0.56) GAAL3MBTL1TP53TDP1THRB
SCHEMBL7655298 0.81 GPR119 (0.51) SMN1; SMN2
SCHEMBL1267275 0.79 GAA (0.61) GAAL3MBTL1MAPTTP53TDP1
SCHEMBL29251163 0.79 CNR2 (0.41) TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL3319018 0.77 GAA (0.59) GAAL3MBTL1MAPTTP53TDP1
SCHEMBL10576741 0.77 GAA (0.64) GAAL3MBTL1MAPTTP53TDP1
SCHEMBL8426303 0.77 GAA (0.54) GAAL3MBTL1MAPTTP53TDP1

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
US-5801173-A Heterocyclic compounds having antidiabetic, hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-09-01 US disclosed