SCHEMBL28005175

SCHEMBL28005175

C=CC(=O)NC(CC)(CC)CCN

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8765522 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2768943 0.86 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8766001 0.86 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL11063305 0.85 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8966058 0.83 ZDHHC20 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL27561622 0.81 ZDHHC20 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15577127 0.81 ZDHHC20 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL27868388 0.81 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28502035 0.81 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL275376 0.80 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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