SCHEMBL8994585

SCHEMBL8994585

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTT P42858 1/20 0.42
GAA P10253 3/20 0.42
PPARG P37231 4/20 0.41
NFE2L2 Q16236 2/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.40
TNKS O95271 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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 SCHEMBL27956727 0.88 CYP1A2 (0.45) CHRNB4CHRNA3CHRNA7HTTGAA
Tetramethylammonium Ion SCHEMBL27921156 0.88 HTT (0.47) HTTGAAPPARGNFE2L2LMNA
SCHEMBL8994582 0.87 CHRNB4 (0.43) CHRNB4CHRNA3CHRNA7HTTGAA
Alcohol SCHEMBL29033352 0.86 HTT (0.46) HTTGAAPPARGNFE2L2LMNA
SCHEMBL28724255 0.86 PPARG (0.52) HTTGAAPPARGNFE2L2LMNA
SCHEMBL2496181 0.84 PPARG (0.53) HTTGAAPPARGNFE2L2LMNA
SCHEMBL1201904 0.84 PPARG (0.53) HTTGAAPPARGNFE2L2LMNA
SCHEMBL15001 0.84 PPARG (0.53) HTTGAAPPARGNFE2L2LMNA
SCHEMBL5274183 0.82 EGFR (0.47) HTTGAALMNAHDAC3TDP1
SCHEMBL6438105 0.82 PPARG (0.52) HTTGAAPPARGNFE2L2LMNA

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