SCHEMBL4523908

SCHEMBL4523908

CC(N)C[Si](O)(O)CCCCCCCCN

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PAOX Q6QHF9 3/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4532743 0.78 OPRM1 (0.41) TRPV1TRPA1ALDH1A1
SCHEMBL4522506 0.77 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL4520467 0.77 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL4531889 0.77 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL4530239 0.77 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL4533546 0.77 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL4511526 0.77 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL4533833 0.77 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL4529263 0.77 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL4535160 0.77 DNM1 (0.50) DNM1CA12CA1CA2CA3

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