SCHEMBL825907

SCHEMBL825907

CCOC(C[SiH2]CNc1ccccc1)OCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
EPHX1 P07099 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL825518 0.83 MAPT (0.47) MAPTNPSR1ALDH1A1L3MBTL1HTT
SCHEMBL935506 0.77 MAPT (0.49) MAPTNPSR1ALDH1A1L3MBTL1GAA
SCHEMBL3708781 0.76 MAPT (0.38) MAPTNPSR1ALDH1A1L3MBTL1GAA
SCHEMBL10359187 0.74 MAPT (0.44) MAPTNPSR1ALDH1A1L3MBTL1HTT
SCHEMBL23521388 0.73 L3MBTL1 (0.39) MAPTNPSR1L3MBTL1GAAHTT
SCHEMBL27297982 0.69 MAPT (0.40) MAPTNPSR1ALDH1A1L3MBTL1GAA
SCHEMBL28638892 0.69 THRB (0.42) LMNA
SCHEMBL8523802 0.67 MAPT (0.40) MAPTNPSR1ALDH1A1L3MBTL1GAA
SCHEMBL703186 0.66 THRB (0.40) LMNA
SCHEMBL704750 0.66 PKM (0.33) L3MBTL1LMNAEPHX1

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
WO-2020239746-A1 COMPOSITION COMPRISING SILYLATED POLYMER HUNTSMAN INTERNATIONAL LLC (US) 2020-12-03 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
WO-2005019296-A1 THERMOPLASTIC POLYURETHANE CONTAINING SILANE GROUPS BASF AKTIENGESELLSCHAFT (DE) 2005-03-03 WO disclosed