SCHEMBL8994554

SCHEMBL8994554

CN(C)CCCCCCCCCc1ccccc1.O=S(=O)(O)C=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.60
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
HTR5A P47898 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
FDPS P14324 2/20 0.41

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
SCHEMBL7949065 0.86 EGFR (0.47) SIGMAR1BCHEACHE
SCHEMBL17180010 0.83 SIGMAR1 (0.77) SIGMAR1TAAR1FDPS
Bicarbonate SCHEMBL8168590 0.78 SIGMAR1 (0.85) SIGMAR1TAAR1FDPS
Bicarbonate SCHEMBL8164479 0.78 SIGMAR1 (0.85) SIGMAR1TAAR1FDPS
Trifluoromethanesulfonic Acid SCHEMBL17180041 0.78 SIGMAR1 (0.68) SIGMAR1TAAR1FDPS
Trimethylammonium SCHEMBL8097278 0.78 HTT (0.47)
SCHEMBL8498144 0.78 SIGMAR1 (1.00) SIGMAR1TAAR1
SCHEMBL8079373 0.78 SIGMAR1 (1.00) SIGMAR1TAAR1
SCHEMBL10726207 0.78 SIGMAR1 (1.00) SIGMAR1TAAR1
SCHEMBL9670745 0.78 SIGMAR1 (1.00) SIGMAR1TAAR1

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