SCHEMBL7057092

SCHEMBL7057092

C=CC(=O)NCCC.CCN(C)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
GAA P10253 2/20 0.35
EPHX1 P07099 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MCL1 Q07820 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
NPC1 O15118 1/20 0.33

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
N,N-Dimethylethanaminium SCHEMBL446272 0.90 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL21701 0.90 ZDHHC20 (0.62) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL2124087 0.88 ZDHHC20 (0.60) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Trimethylammonium SCHEMBL269883 0.88 ZDHHC20 (0.60) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL141762 0.88
SCHEMBL9619164 0.86 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL9063855 0.86
Hydrochloric Acid SCHEMBL15846881 0.86
Water SCHEMBL28252943 0.86
Ammonia Solution, Strong SCHEMBL27756085 0.86

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
WO-2003035791-A1 COMPOSITION FOR AVOIDING OR REDUCING THE BUILD-UP OF ICE AND SNOW, METHOD FOR PRODUCTION AND USE OF SAID COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 2003-05-01 WO disclosed