SCHEMBL3630398

SCHEMBL3630398

CN(C)C(CCC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.45
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ACP1 P24666 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2773244 0.90 NPC1 (0.49) GSK3BALDH1A1KMT2AMAPTMEN1
SCHEMBL21834999 0.82 GSK3B (0.48) GSK3BALDH1A1KMT2AMAPTMAOB
SCHEMBL156127 0.82 GSK3B (0.48) GSK3BALDH1A1KMT2AMAPTMAOB
SCHEMBL28273757 0.81 MAPT (0.46) GSK3BALDH1A1KMT2AMAPTMEN1
SCHEMBL27507397 0.81 MAPT (0.50) GSK3BALDH1A1KMT2AMAPTMEN1
SCHEMBL29481619 0.80 GSK3B (0.51) GSK3BALDH1A1KMT2AMAPTMAOB
SCHEMBL9279384 0.74 MAPT (0.44) GSK3BALDH1A1KMT2AMAPTMEN1
Benzil SCHEMBL28130252 0.74 GSK3B (0.56) GSK3BALDH1A1KMT2AMAPTMEN1
SCHEMBL194465 0.74 NPC1 (0.47) GSK3BALDH1A1KMT2AMAPTMEN1
SCHEMBL21634368 0.74 NPC1 (0.47) GSK3BALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144894-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2010-01-20 EP disclosed
EP-2144900-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2010-01-20 EP disclosed
EP-2144876-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2010-01-20 EP disclosed
WO-2009019173-A1 OXIME ESTER PHOTOINITIATORS BASF SE (CH) 2009-02-12 WO disclosed
WO-2008138724-A1 OXIME ESTER PHOTOINITIATORS BASF SE (CH) 2008-11-20 WO disclosed
WO-2008138732-A1 OXIME ESTER PHOTOINITIATORS BASF SE (CH) 2008-11-20 WO disclosed
WO-2008138733-A1 OXIME ESTER PHOTOINITIATORS BASF SE (CH) 2008-11-20 WO disclosed
EP-1963374-A1 OXIME ESTER PHOTOINITIATORS Ciba Holding Inc. (CH) 2008-09-03 EP disclosed
EP-1957457-A1 OXIME ESTER PHOTOINITIATORS Ciba Holding Inc. (CH) 2008-08-20 EP disclosed
WO-2007071497-A1 OXIME ESTER PHOTOINITIATORS CIBA HOLDING INC. (CH) 2007-06-28 WO disclosed
WO-2007062963-A1 OXIME ESTER PHOTOINITIATORS CIBA HOLDING INC. (CH) 2007-06-07 WO disclosed
EP-1436297-A1 PHOTOACTIVABLE NITROGEN BASES Ciba Specialty Chemicals Holding Inc. (CH) 2004-07-14 EP disclosed
WO-2003033500-A1 PHOTOACTIVABLE NITROGEN BASES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-24 WO disclosed