SCHEMBL8994582

SCHEMBL8994582

CC[N+](C)(CC)CC.O=S(=O)([O-])C=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
PPARG P37231 5/20 0.41
LMNA P02545 3/20 0.41
NFE2L2 Q16236 2/20 0.41
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37

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
Tetrylammonium SCHEMBL9445032 0.88 CYP1A2 (0.45) CHRNB4CHRNA3CHRNA7PPARGLMNA
Tetramethylammonium Ion SCHEMBL17508346 0.88 PPARG (0.47) PPARGLMNANFE2L2HTTALDH1A1
SCHEMBL8994585 0.87 CHRNB4 (0.43) CHRNB4CHRNA3CHRNA7PPARGLMNA
SCHEMBL5274180 0.82 DNM1 (0.41) CHRNA7LMNAHTTALDH1A1CYP3A4
SCHEMBL2138985 0.82 PPARG (0.52) PPARGLMNANFE2L2HTTALDH1A1
SCHEMBL4339905 0.82 PPARG (0.52) PPARGLMNANFE2L2HTTALDH1A1
SCHEMBL11600944 0.82 PPARG (0.52) PPARGLMNANFE2L2HTTALDH1A1
SCHEMBL1565614 0.82 PPARG (0.52) PPARGLMNANFE2L2HTTALDH1A1
Lithium Ion SCHEMBL193641 0.82 PPARG (0.52) PPARGLMNANFE2L2HTTALDH1A1
SCHEMBL2997852 0.82 PPARG (0.52) PPARGLMNANFE2L2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506782-B1 ANTI-FOULING COATING COMPOSITIONS COURTAULDS COATINGS HOLDINGS (GB) 1996-08-14 EP disclosed
US-5302192-A A marine biocide and hydrolyzable film-forming seawater-erodable polymer having pendant quaternized ammonium sulfate groups; ship hulls; algicides; seaweed; barnacles COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1994-04-12 US disclosed
EP-0506782-A1 ANTI-FOULING COATING COMPOSITIONS. COURTAULDS COATINGS HOLDINGS (GB) 1992-10-07 EP disclosed
WO-1991009915-A1 ANTI-FOULING COATING COMPOSITIONS COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1991-07-11 WO disclosed