SCHEMBL825519

SCHEMBL825519

CCOC([SiH3])(CC(CC)Nc1ccccc1)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 4/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 3/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALOX12 P18054 2/20 0.33
THRB P10828 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33
HIF1A Q16665 2/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2797206 0.76 TDP1 (0.37) TDP1NPSR1LMNAPOLBTSHR
SCHEMBL2495982 0.75 TDP1 (0.54) TDP1LMNAPOLBTSHRALDH1A1
SCHEMBL8523800 0.74 MAPT (0.40) TDP1NPSR1TSHRALDH1A1SMN1; SMN2
Methane SCHEMBL28523284 0.73 TDP1 (0.52) TDP1NPSR1LMNAPOLBTSHR
Hydrochloric Acid SCHEMBL17710412 0.73 TDP1 (0.52) TDP1LMNAPOLBTSHRALDH1A1
SCHEMBL16197518 0.72
SCHEMBL1185277 0.71 TDP1 (0.42) TDP1NPSR1LMNAPOLBTSHR
SCHEMBL632881 0.69 MAPT (0.47) TDP1NPSR1LMNATSHRALDH1A1
SCHEMBL825908 0.69 MAPT (0.44) NPSR1LMNATSHRALDH1A1L3MBTL1
SCHEMBL4408344 0.69 ALDH1A1 (0.48) TDP1LMNAPOLBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157970-A1 SILYLATED POLYURETHANES Huntsman International LLC (US) 2017-04-26 EP claimed
WO-2015193146-A1 SILYLATED POLYURETHANES HUNTSMAN INTERNATIONAL LLC (US) 2015-12-23 WO claimed
EP-3157970-A1 SILYLATED POLYURETHANES Huntsman International LLC (US) 2017-04-26 EP disclosed
WO-2015193146-A1 SILYLATED POLYURETHANES HUNTSMAN INTERNATIONAL LLC (US) 2015-12-23 WO disclosed
EP-2582737-A1 ALKOXYSILANE FUNCTIONALIZED ISOCYANATE BASED MATERIALS Huntsman International LLC (US) 2013-04-24 EP disclosed
WO-2011161011-A1 ALKOXYSILANE FUNCTIONALIZED ISOCYANATE BASED MATERIALS HUNTSMAN INTERNATIONAL LLC (US) 2011-12-29 WO disclosed