SCHEMBL27615673

SCHEMBL27615673

C=CC(=O)NC.CC[N+](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.32
APEX1 P27695 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
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
SCHEMBL28125726 1.00 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Propane SCHEMBL28207461 0.88 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL27980317 0.87 TSHR (0.38) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Tetrylammonium SCHEMBL28754152 0.86 TSHR (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Propane SCHEMBL4583434 0.85
SCHEMBL30637266 0.85
Hydrogen Sulfide SCHEMBL27505019 0.85
SCHEMBL27364449 0.85 ZDHHC20 (0.40) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Bromide SCHEMBL27980399 0.84 ZDHHC20 (0.39) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL3166664 0.84 LMNA (0.40) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458639-A Recirculated wet-coating booth water treatment agent and treatment method 伯东株式会社 2017-02-22 CN disclosed
CN-103958620-B The antistatic coating composition of using KAO CORP. (JP) 2016-05-04 CN disclosed
CN-105431609-A Gel compostions for hydraulic fracturing applications KEMIRA OY 2016-03-23 CN disclosed
CN-100510037-C Friction regulator for lubricating oil and lubricating oil composition SANYO CHEMICAL IND LTD (JP) 2009-07-08 CN disclosed
CN-1643119-A Friction modifier for lubricating oil and lubricating oil composition SANYO CHEMICAL IND LTD (JP) 2005-07-20 CN disclosed