SCHEMBL2906855

SCHEMBL2906855

C=CC(=O)NCCC(C)(C)[N+](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TGM2 P21980 3/20 0.32
BBOX1 O75936 1/20 0.30

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
Hydrochloric Acid SCHEMBL422172 0.98 ZDHHC20 (0.44) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL6283366 0.80 ZDHHC20 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL12731248 0.79 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL635849 0.77 ZDHHC20 (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL8766172 0.77 ZDHHC20 (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL24932662 0.77 ZDHHC20 (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28360724 0.76 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL406600 0.76 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL19287489 0.76 ZDHHC20 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL24932940 0.74 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000485-B1 Formaldehyde-free emulsion polymer dispersion composition including fully hydrolyzed polyvinyl alcohol as colloidal stabilizer provding improved heat resistance WACKER CHEMICAL CORP (US) 2010-08-11 EP claimed
EP-3560994-B1 ETHYLENE VINYL ALCOHOL COPOLYMER RESIN COMPOSITION, AND MULTILAYER STRUCTURE MITSUBISHI CHEM CORP (JP) 2023-07-26 EP disclosed
EP-3560994-A1 ETHYLENE VINYL ALCOHOL COPOLYMER RESIN COMPOSITION, AND MULTILAYER STRUCTURE Mitsubishi Chemical Corporation (JP) 2019-10-30 EP disclosed