SCHEMBL4520960

SCHEMBL4520960

CC(C)NCCC[Si](O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ADRB2 P07550 1/20 0.34
CACNA2D1 P54289 1/20 0.31
HTR1B P28222 1/20 0.30
NR2E1 Q9Y466 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4529270 0.84
SCHEMBL15981492 0.83 HRH4 (0.34) HRH4HRH3ADRB2CACNA2D1
SCHEMBL4536020 0.78 EPHX1 (0.32) HRH4HRH3ADRB2
SCHEMBL19543082 0.75 HRH4 (0.35) HRH4HRH3ADRB2CACNA2D1HTR1B
SCHEMBL479263 0.74 HRH4 (0.39) HRH4HRH3ADRB2CACNA2D1HTR1B
SCHEMBL2600364 0.74 HRH4 (0.43) HRH4HRH3ADRB2CACNA2D1HTR1B
SCHEMBL13932370 0.73 LMNA (0.41) KDM4E
SCHEMBL15981421 0.72
SCHEMBL754871 0.72 HRH4 (0.45) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL841330 0.72 HRH4 (0.45) HRH4HRH3ADRB2HTR1BNR2E1

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