SCHEMBL4880451

SCHEMBL4880451

CCO[Si](CCCNC(=O)CC(N)=O)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP2 P42575 1/20 0.34
TSHR P16473 2/20 0.33
FAAH O00519 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 1/20 0.31
EPHX1 P07099 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7122081 0.89 MEN1 (0.45) MEN1KMT2ACASP2TSHRFAAH
SCHEMBL8447044 0.87 TSHR (0.46) MEN1KMT2ACASP2TSHRFAAH
SCHEMBL12190482 0.84 MEN1 (0.41) MEN1KMT2ACASP2TSHRFAAH
SCHEMBL10481544 0.84 MEN1 (0.41) MEN1KMT2ACASP2TSHRFAAH
SCHEMBL35515 0.84 CA12 (0.35) MEN1KMT2ATSHRCA12CA1
SCHEMBL896888 0.84 CA12 (0.35) MEN1KMT2ATSHRCA12CA1
SCHEMBL28324754 0.84 MEN1 (0.59) MEN1KMT2ACASP2RECQL
SCHEMBL16422258 0.82 MEN1 (0.42) MEN1KMT2ACASP2TSHRFAAH
SCHEMBL6551654 0.82 ALDH1A1 (0.52) MEN1KMT2ACASP2TSHRFAAH
Methyl Alcohol SCHEMBL22551142 0.82 CA12 (0.34) MEN1KMT2ATSHRCA12CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375168-B2 Protein compatible methods and compounds for controlling the morphology and shrinkage of silica derived from polyol-modified silanes MCMASTER UNIVERSITY 2008-05-20 US disclosed
US-20040249082-A1 Protein compatible methods and compounds for controlling the morphology and shrinkage of silica derived from polyol-modified silanes MCMASTER UNIVERSITY (CA) 2004-12-09 US disclosed
US-6667016-B1 Contacting aqueous solution of ions with hybrid gel obtained by polycondensing, in solvent comprising water, at least one functionalized silicon alkoxide with metallic alkoxide, separating gel from aqueous solution COMMISSARIAT A L'ENERGIE ATOMIQUE AND COMPAGNIE GENERALE DES MATIERES NUCLEAIRES (FR) 2003-12-23 US disclosed