SCHEMBL4526446

SCHEMBL4526446

C[Si](O)(O)CCCCCCCCNC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
SQLE Q14534 1/20 0.37
HRH4 Q9H3N8 4/20 0.34
HRH3 Q9Y5N1 4/20 0.34
S1PR5 Q9H228 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
CXCR4 P61073 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL4527474 0.83 GNAI3 (0.40) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL4522392 0.82 CXCR4 (0.46) HRH4HRH3CXCR4KDM4EEPHX1
SCHEMBL13254747 0.72 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL9155873 0.72 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL20746945 0.72 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL24210534 0.72 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL4530750 0.72 EPHX1 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL22462391 0.72 GNAI3 (0.48) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL31020849 0.72 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL17718458 0.72 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR4S1PR1

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