SCHEMBL4515291

SCHEMBL4515291

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CETP P11597 1/20 0.37
HTT P42858 1/20 0.37
UBE2N P61088 1/20 0.37
LAP3 P28838 1/20 0.37
OPRM1 P35372 1/20 0.37
DNM1 Q05193 4/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4531008 1.00 SPHK1 (0.39) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL4523094 1.00 SPHK1 (0.39) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL4522571 0.98 OPRM1 (0.38) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL4533769 0.92 ALDH1A1 (0.41) OPRM1DNM1ALDH1A1
SCHEMBL4532158 0.75 SPHK1 (0.47) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL4513263 0.72 OPRM1 (0.46) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL5144759 0.68 SPHK1 (0.48) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL28827869 0.68 SPHK1 (0.48) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL380548 0.67 HTT (0.55) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL16390108 0.67 HTT (0.55) SPHK1LMNACYP2D6GMNNPOLB

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