SCHEMBL4530242

SCHEMBL4530242

CCCCC(N)[Si](O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.41
OPRM1 P35372 1/20 0.40
SPHK1 Q9NYA1 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.37
LAP3 P28838 2/20 0.37
SLC15A1 P46059 1/20 0.36
DNM1 Q05193 2/20 0.36
FDPS P14324 1/20 0.36
CYP2D6 P10635 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL4530952 0.92 OPRM1 (0.50) DPP7OPRM1SPHK1SLC1A2SLC1A1
SCHEMBL4517840 0.90 SPHK1 (0.50) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL4525623 0.90 SPHK1 (0.50) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL4522732 0.77 OPRM1 (0.50) OPRM1SPHK1SLC1A2SLC1A1TP53
SCHEMBL4524497 0.76 GSR (0.36) CA1CA2DNM1LMNABLM
SCHEMBL2005159 0.76 OPRM1 (0.42) DPP7OPRM1SPHK1CA1CA2
SCHEMBL4536322 0.75 SPHK1 (0.50) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL4533597 0.75 SPHK1 (0.50) OPRM1SPHK1TP53LAP3CYP2D6
SCHEMBL4530828 0.75 SPHK1 (0.45) OPRM1SPHK1CA2TP53LAP3
SCHEMBL28610771 0.74 OPRM1 (0.40) DPP7OPRM1SPHK1CA1CA2

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