SCHEMBL4522571

SCHEMBL4522571

CCCCCC(CN)[Si](O)(O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
SPHK1 Q9NYA1 2/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 2/20 0.35
LAP3 P28838 2/20 0.35
CYP2D6 P10635 2/20 0.34
HTT P42858 2/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
UBE2N P61088 1/20 0.34

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
SCHEMBL4523094 0.98 SPHK1 (0.39) OPRM1SPHK1LMNAALDH1A1TP53
SCHEMBL4531008 0.98 SPHK1 (0.39) OPRM1SPHK1LMNAALDH1A1TP53
SCHEMBL4515291 0.98 SPHK1 (0.39) OPRM1SPHK1LMNAALDH1A1TP53
SCHEMBL4533769 0.94 ALDH1A1 (0.41) OPRM1ALDH1A1TDP1FDPS
SCHEMBL4513263 0.74 OPRM1 (0.46) OPRM1SPHK1LMNATP53LAP3
SCHEMBL4532158 0.72 SPHK1 (0.47) OPRM1SPHK1LMNATP53LAP3
SCHEMBL11578838 0.66 OPRM1 (0.52) OPRM1SPHK1LMNATP53LAP3
SCHEMBL4171750 0.66
SCHEMBL2357309 0.66
SCHEMBL4303715 0.66

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