SCHEMBL825908

SCHEMBL825908

CCOC([SiH3])(CCNc1ccccc1)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.34
GAA P10253 3/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.32
METAP1 P53582 1/20 0.32
ICMT O60725 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL3687978 0.90 ALDH1A1 (0.50) MAPTALDH1A1NPSR1L3MBTL1TSHR
SCHEMBL25624811 0.81 MAPT (0.45) MAPTALDH1A1NPSR1L3MBTL1GAA
SCHEMBL8523800 0.74 MAPT (0.40) MAPTALDH1A1NPSR1TSHRGAA
SCHEMBL2157273 0.72 MAPT (0.53) MAPTALDH1A1L3MBTL1TSHRGAA
SCHEMBL14801652 0.72 NPSR1 (0.33) MAPTALDH1A1NPSR1TSHRGAA
SCHEMBL4264763 0.71 MAPT (0.47) MAPTALDH1A1NPSR1L3MBTL1TSHR
SCHEMBL4762870 0.71 MAPT (0.56) MAPTALDH1A1L3MBTL1TSHRGAA
SCHEMBL20626603 0.71 MAPT (0.50) MAPTALDH1A1NPSR1L3MBTL1TSHR
SCHEMBL22716531 0.69 TSHR (0.54) MAPTNPSR1L3MBTL1TSHRGAA
SCHEMBL18922359 0.69 MAPT (0.48) MAPTALDH1A1NPSR1L3MBTL1GAA

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 4 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-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