SCHEMBL4529661

SCHEMBL4529661

NCCC(N)CCCCCCCCCCCCC[Si](O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 1/20 0.33
S1PR2 O95136 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR4 O95977 4/20 0.32
GSR P00390 1/20 0.30
RRM1 P23921 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
SCHEMBL4527212 1.00 TRPV1 (0.33) TRPV1ALDH1A1TRPA1S1PR2S1PR1
SCHEMBL4521008 1.00 TRPV1 (0.33) TRPV1ALDH1A1TRPA1S1PR2S1PR1
SCHEMBL4514826 1.00 TRPV1 (0.33) TRPV1ALDH1A1TRPA1S1PR2S1PR1
SCHEMBL4530358 1.00 TRPV1 (0.33) TRPV1ALDH1A1TRPA1S1PR2S1PR1
SCHEMBL4531487 0.84 GSR (0.40) TRPV1ALDH1A1GSR
SCHEMBL28513025 0.81
SCHEMBL4516150 0.81 S1PR2 (0.47) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL30431198 0.81 TRPV1 (0.39) TRPV1ALDH1A1TRPA1S1PR2S1PR1
SCHEMBL4532153 0.80 GSR (0.40) TRPV1ALDH1A1GSR
SCHEMBL3487034 0.78 ENPEP (0.36) TRPV1ALDH1A1TRPA1S1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 US disclosed