SCHEMBL8994604

SCHEMBL8994604

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
GRK2 P25098 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
APAF1 O14727 1/20 0.45
DNMT1 P26358 1/20 0.45
PTPN7 P35236 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PPP1CA P62136 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 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
Tetramethylammonium Ion SCHEMBL9516317 0.91 POLB (0.49) POLBGRK2L3MBTL1MEN1KMT2A
Zinc Ion SCHEMBL29206346 0.88 ALDH1A1 (0.45) POLBGRK2L3MBTL1MEN1KMT2A
SCHEMBL8149084 0.88 ALDH1A1 (0.45) POLBGRK2L3MBTL1MEN1KMT2A
SCHEMBL8153928 0.88 ALDH1A1 (0.45) POLBGRK2L3MBTL1MEN1KMT2A
SCHEMBL8148494 0.88 ALDH1A1 (0.45) POLBGRK2L3MBTL1MEN1KMT2A
Lithium Ion SCHEMBL6048636 0.88 ALDH1A1 (0.45) POLBGRK2L3MBTL1MEN1KMT2A
Potassium Ion SCHEMBL3658389 0.88 ALDH1A1 (0.45) POLBGRK2L3MBTL1MEN1KMT2A
SCHEMBL121581 0.88 ALDH1A1 (0.45) POLBGRK2L3MBTL1MEN1KMT2A
SCHEMBL8063593 0.88 ALDH1A1 (0.45) POLBGRK2L3MBTL1MEN1KMT2A
SCHEMBL8472395 0.88 ALDH1A1 (0.45) POLBGRK2L3MBTL1MEN1KMT2A

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-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
WO-1991009915-A1 ANTI-FOULING COATING COMPOSITIONS COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1991-07-11 WO disclosed