SCHEMBL7128299

SCHEMBL7128299

NCCCCCCC1CC(=O)N(O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
TPSAB1 Q15661 2/20 0.30
TPSD1 Q9BZJ3 2/20 0.30
TPSG1 Q9NRR2 2/20 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
SCHEMBL9181452 0.83 CYP1A2 (0.40)
SCHEMBL1758179 0.81 CYP1A2 (0.38)
SCHEMBL7626957 0.80 LMNA (0.39)
SCHEMBL1324959 0.79
SCHEMBL25215380 0.79 ACE (0.34)
SCHEMBL13003189 0.79 ELANE (0.37)
SCHEMBL949470 0.76 MGLL (0.50)
SCHEMBL4216170 0.73 ALDH1A1 (0.37)
SCHEMBL4236289 0.72 PRKCA (0.36)
SCHEMBL8228528 0.70 CYP2C19 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6615842-B1 Methods for removing nucleophilic toxins from tobacco smoke CERAMI CONSULTING CORP. 2003-09-09 US claimed
EP-1309253-A1 METHODS, AGENTS AND DEVICES FOR REMOVING NUCLEOPHILIC TOXINS FROM TOBACCO AND TOBACCO SMOKE Cerami Consulting Corporation (US) 2003-05-14 EP claimed
WO-2002000046-A1 METHODS, AGENTS AND DEVICES FOR REMOVING NUCLEOPHILIC TOXINS FROM TOBACCO AND TOBACCO SMOKE CERAMI CONSULTING CORP. (US) 2002-01-03 WO claimed
US-6119701-A USING A FILTER ELEMENT COMPRISING A POLYMER DERIVATIZED WITH ALDEHYDIC GROUPS, E.G., CELLULOSE DIALDEHYDE, DIALDEHYDE STARCHES; DETOXIFICATION WITHOUT REMOVAL OF THE NICOTINE AND FLAVOR; CIGARETTES, CIGARS, PIPES AND ROOM AIR FILTERS CERAMI CONSULTING CORP. (US) 2000-09-19 US claimed
US-6615842-B1 Methods for removing nucleophilic toxins from tobacco smoke CERAMI CONSULTING CORP. 2003-09-09 US disclosed