SCHEMBL28875146

SCHEMBL28875146

C=CC(=O)NC.CC(O)CS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
TGM2 P21980 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL185807 0.87 TSHR (0.41) TSHRTGM2ALDH1A1MAPK1TDP1
SCHEMBL27471616 0.81 ZDHHC20 (0.44) TSHRTGM2ALDH1A1MAPK1TDP1
Acrylamide SCHEMBL28245435 0.79 TSHR (0.44) TSHRALDH1A1
SCHEMBL28523135 0.79 TSHR (0.46) TSHRTGM2ALDH1A1MAPK1TDP1
Propylene Glycol SCHEMBL28208824 0.79 TSHR (0.46) TSHRTGM2ALDH1A1MAPK1TDP1
Dimethylamine SCHEMBL28812089 0.78 SLC22A6 (0.37) TSHRALDH1A1TDP1
Isopropyl Alcohol SCHEMBL28049359 0.78 TSHR (0.54) TSHRTGM2ALDH1A1MAPK1TDP1
Dimethylamine SCHEMBL9347103 0.78 SLC22A6 (0.37) TSHRALDH1A1TDP1
Sulfuric Acid SCHEMBL27873789 0.78 TSHR (0.42) TSHRTGM2ALDH1A1MAPK1TDP1
SCHEMBL27469666 0.78 TGM2 (0.42) TSHRTGM2ALDH1A1MAPK1TDP1

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
CN-105431783-B Toner binder and toner 三洋化成工业株式会社 2019-08-02 CN disclosed