SCHEMBL4532153

SCHEMBL4532153

NCCCCC(N)CC[Si](O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.40
RNPEP Q9H4A4 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
NFKB1 P19838 1/20 0.32
CPB2 Q96IY4 2/20 0.31
MMP2 P08253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 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
SCHEMBL4530924 0.93 GSR (0.32) GSRCPB2
SCHEMBL4531487 0.91 GSR (0.40) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL28513025 0.83
SCHEMBL4527212 0.80 TRPV1 (0.33) GSRALDH1A1TRPV1
SCHEMBL4521008 0.80 TRPV1 (0.33) GSRALDH1A1TRPV1
SCHEMBL4514826 0.80 TRPV1 (0.33) GSRALDH1A1TRPV1
SCHEMBL4530358 0.80 TRPV1 (0.33) GSRALDH1A1TRPV1
SCHEMBL4529661 0.80 TRPV1 (0.33) GSRALDH1A1TRPV1
SCHEMBL350694 0.80 NFKB1 (0.50) GSRRNPEPNFKB1CPB2CA12
SCHEMBL351414 0.77 NFKB1 (0.47) GSRRNPEPNFKB1CPB2CA12

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