SCHEMBL8994579

SCHEMBL8994579

C=Cc1ccccc1S(=O)(=O)[O-].CC[N+](C)(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 1/20 0.33
ALDH1A1 P00352 1/20 0.32
STS P08842 1/20 0.31
ESR1 P03372 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
SCHEMBL5274177 0.83 DNM1 (0.36) LMNACYP3A4CYP2D6MAPK1ALDH1A1
SCHEMBL5422978 0.83 C5AR1 (0.35) C5AR1ALDH1A1STSESR1
Lithium Ion SCHEMBL1252811 0.83 ALDH1A1 (0.40) LMNACYP3A4ALDH1A1STS
Silver SCHEMBL4962791 0.83 ALDH1A1 (0.40) LMNACYP3A4ALDH1A1STS
Potassium Ion SCHEMBL31513729 0.83 ALDH1A1 (0.40) LMNACYP3A4ALDH1A1STS
SCHEMBL2997850 0.83 ALDH1A1 (0.40) LMNACYP3A4ALDH1A1STS
SCHEMBL139337 0.83 ALDH1A1 (0.40) LMNACYP3A4ALDH1A1STS
SCHEMBL2021507 0.83 ALDH1A1 (0.40) LMNACYP3A4ALDH1A1STS
SCHEMBL3002304 0.83 ALDH1A1 (0.40) LMNACYP3A4ALDH1A1STS
SCHEMBL2020779 0.83 ALDH1A1 (0.40) LMNACYP3A4ALDH1A1STS

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