SCHEMBL9394064

SCHEMBL9394064

CC(=O)N(CC(=O)OC(=O)CN(C(C)=O)C(C)=O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TRPA1 O75762 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL14184091 0.81 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27637236 0.77 CA12 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2140134 0.73 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27501831 0.72 ALDH1A1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8172741 0.71 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL7248068 0.71 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7124418 0.71 TDP1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8306727 0.69 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
Butane SCHEMBL3221531 0.69 ALDH1A1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28027529 0.67 MGAM (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3

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-1994019446-A1 BLEACHING COMPOSITION LION CORPORATION (JP) 1994-09-01 WO disclosed