SCHEMBL4531776

SCHEMBL4531776

CCCC(N)CC[Si](O)(O)CCC(N)CCC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
METAP1 P53582 2/20 0.35
S1PR2 O95136 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR4 O95977 4/20 0.31
GRIK1 P39086 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
GRIK2 Q13002 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
SCHEMBL4525159 0.91 ALDH1A1 (0.38) ALDH1A1METAP1
SCHEMBL4534786 0.85 ALDH1A1 (0.41) ALDH1A1METAP1S1PR2S1PR1S1PR3
SCHEMBL284709 0.78
Fluoride SCHEMBL27138066 0.74
Ammonia Solution, Strong SCHEMBL17156481 0.74
Hydrochloric Acid SCHEMBL6263417 0.74
SCHEMBL28803333 0.74 ALDH1A1 (0.46) ALDH1A1METAP1S1PR2S1PR1S1PR3
SCHEMBL4514700 0.73 S1PR2 (0.47) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL4512255 0.73 S1PR2 (0.52) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL4537223 0.72 ALDH1A1 (0.38) ALDH1A1METAP1GRIK1SLC1A3SLC1A2

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