SCHEMBL4533823

SCHEMBL4533823

NCCC[Si](O)(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
HTR2A P28223 3/20 0.39
HRH1 P35367 3/20 0.39
KIF11 P52732 1/20 0.38
CYP2A6 P11509 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
POLB P06746 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL24433798 0.83 MAOA (0.40) MAOAHTR2AHRH1KIF11CYP2A6
SCHEMBL272398 0.78 PCSK9 (0.39)
SCHEMBL6841739 0.78 ALDH1A1 (0.32)
SCHEMBL27550594 0.77 MAOA (0.43) MAOAHTR2AHRH1KIF11CYP2A6
SCHEMBL21748441 0.77 MAOA (0.43) MAOAHTR2AHRH1KIF11CYP2A6
SCHEMBL27548936 0.77 LOXL2 (0.38) HTR2AHRH1CYP2A6SMN1; SMN2TAAR1
SCHEMBL3930440 0.76 MAOA (0.41) MAOAHTR2AHRH1KIF11CYP2A6
SCHEMBL5807500 0.75 MAOA (0.47) MAOASMN1; SMN2
SCHEMBL28743025 0.75 NAAA (0.43)
SCHEMBL27680938 0.75 LOXL2 (0.36) HTR2AHRH1CYP2A6SMN1; SMN2TAAR1

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