SCHEMBL28005173

SCHEMBL28005173

C=CC(=O)NCCC(N)(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.37
TGM2 P21980 2/20 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
SCHEMBL28502032 0.81 ALDH1A1 (0.43) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL635849 0.81 ZDHHC20 (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL406600 0.79 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL19287489 0.79 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL9320179 0.76 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL15577127 0.76 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL6283366 0.76 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL28029861 0.76 TSHR (0.33) TSHRALDH1A1TDP1
SCHEMBL28887765 0.76 ZDHHC20 (0.53) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL28449678 0.75 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106220785-B A kind of preparation method and application of the reactivity polyquarternium-type without aldehyde fixation crosslinking agent 四川省纺织科学研究院 2019-03-29 CN disclosed
CN-107001491-A Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2017-08-01 CN disclosed
CN-106220785-A A kind of reactive polyquarternium-type is without the preparation method and application of aldehyde fixation crosslinking agent 四川省纺织科学研究院 2016-12-14 CN disclosed
CN-103443189-B Rubber composition and pneumatic tire 住友橡胶工业株式会社 2016-09-07 CN disclosed
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
CN-103502345-B Rubber combination and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-01-20 CN disclosed
CN-103492472-B Rubber combination and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-09-16 CN disclosed
CN-103443191-B Rubber combination and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-09-02 CN disclosed
CN-103492473-B Rubber combination and pneumatic tyre SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-08-26 CN disclosed
CN-102167854-B Conjugated diene series polymer rubber and conjugated diene series polymer rubber composition SUMITOMO CO LTD 2015-07-08 CN disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed