SCHEMBL1760416

SCHEMBL1760416

CC1(C)OC[C@@H](CN(N)C(=O)O)O1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
NAMPT P43490 3/20 0.31
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30

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
SCHEMBL1760428 0.79 CA2 (0.41) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL1760347 0.79 CA2 (0.41) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL1760431 0.79 CA2 (0.41) CA2TMEM97SIGMAR1ALDH1A1NPSR1
Acetic Acid SCHEMBL15955948 0.77 CA2 (0.46) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL17332183 0.75 CA2 (0.41) CA2TMEM97SIGMAR1ALDH1A1NPSR1
Acetic Acid SCHEMBL5708591 0.74 CA2 (0.47) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL2066105 0.73 CA2 (0.46) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL4926340 0.73 CA2 (0.46) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL2066108 0.73 CA2 (0.46) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL1145603 0.72 CA2 (0.58) CA2TMEM97SIGMAR1ALDH1A1NPSR1

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-2011057993-A1 INDAZOLONE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed