SCHEMBL825520

SCHEMBL825520

CCOC(C)(OCC)[SiH2]CCCNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KCNH3 Q9ULD8 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL825909 0.82 NPSR1 (0.37) ALDH1A1MAPTKCNH3L3MBTL1CYP1A2
SCHEMBL1822567 0.75 CYP2C19 (0.32) ALDH1A1CYP1A2CYP2C19
SCHEMBL1603893 0.74 ALDH1A1 (0.53) ALDH1A1MAPTKCNH3L3MBTL1CYP1A2
SCHEMBL16192387 0.73 EPHX1 (0.33)
SCHEMBL3917120 0.73 MAPT (0.52) ALDH1A1MAPTKCNH3L3MBTL1CYP1A2
SCHEMBL25624811 0.72 MAPT (0.45) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL3687978 0.72 ALDH1A1 (0.50) ALDH1A1MAPTKCNH3L3MBTL1CYP1A2
SCHEMBL704453 0.72
SCHEMBL702537 0.72
SCHEMBL29162935 0.71 MAPT (0.64) ALDH1A1MAPTKCNH3L3MBTL1CYP1A2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459362-B Silylated polyurethanes 亨茨曼国际有限公司 2020-10-13 CN claimed
US-10351656-B2 Silylated polyurethanes HUNTSMAN INTERNATIONAL LLC (US) 2019-07-16 US claimed
EP-3157970-B1 SILYLATED POLYURETHANES HUNTSMAN INT LLC (US) 2019-02-06 EP claimed
US-20170198084-A1 SILYLATED POLYURETHANES HUNTSMAN INTERNATIONAL LLC 2017-07-13 US claimed
EP-3157970-A1 SILYLATED POLYURETHANES Huntsman International LLC (US) 2017-04-26 EP claimed
EP-2957582-A1 Isocyanate-based prepolymers HUNTSMAN INTERNATIONAL LLC (US) 2015-12-23 EP claimed
WO-2015193146-A1 SILYLATED POLYURETHANES HUNTSMAN INTERNATIONAL LLC (US) 2015-12-23 WO claimed
US-20220220247-A1 Composition Comprising Silylated Polymer HUNTSMAN INTERNATIONAL LLC 2022-07-14 US disclosed
EP-3976707-A1 COMPOSITION COMPRISING SILYLATED POLYMER Huntsman International LLC (US) 2022-04-06 EP disclosed
CN-113966360-A Compositions comprising silylated polymers 亨茨曼国际有限公司 2022-01-21 CN disclosed
WO-2020239746-A1 COMPOSITION COMPRISING SILYLATED POLYMER HUNTSMAN INTERNATIONAL LLC (US) 2020-12-03 WO disclosed
CN-106459362-B Silylated polyurethanes 亨茨曼国际有限公司 2020-10-13 CN disclosed
US-10351656-B2 Silylated polyurethanes HUNTSMAN INTERNATIONAL LLC (US) 2019-07-16 US disclosed
EP-2957582-A1 Isocyanate-based prepolymers HUNTSMAN INTERNATIONAL LLC (US) 2015-12-23 EP disclosed
WO-2015193146-A1 SILYLATED POLYURETHANES HUNTSMAN INTERNATIONAL LLC (US) 2015-12-23 WO disclosed
WO-2014173638-A1 COMPOSITION COMPRISING SILYLATED POLYMERS HUNTSMAN INTERNATIONAL LLC (US) 2014-10-30 WO disclosed
EP-2796493-A1 Composition comprising silylated polymers and polyhedral oligomeric metallo silsesquioxane HUNTSMAN INTERNATIONAL LLC (US) 2014-10-29 EP disclosed
EP-2582737-A1 ALKOXYSILANE FUNCTIONALIZED ISOCYANATE BASED MATERIALS Huntsman International LLC (US) 2013-04-24 EP disclosed
US-20130079538-A1 ALKOXYSILANE FUNCTIONALIZED ISOCYANATE BASED MATERIALS Huntsman Internatioanl LLC (US) 2013-03-28 US disclosed
WO-2011161011-A1 ALKOXYSILANE FUNCTIONALIZED ISOCYANATE BASED MATERIALS HUNTSMAN INTERNATIONAL LLC (US) 2011-12-29 WO disclosed