SCHEMBL3790002

SCHEMBL3790002

CCCCC(=O)/C=C(\C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.41
CES2 O00748 3/20 0.41
FAAH O00519 3/20 0.39
TP53 P04637 2/20 0.38
SOAT1 P35610 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.37
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.34
POLA1 P09884 1/20 0.34
IAPP P10997 1/20 0.34
AKR1B1 P15121 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
SCHEMBL3790005 1.00 CES1 (0.41) CES1CES2FAAHTP53SOAT1
SCHEMBL1226250 0.92 FAAH (0.49) CES1CES2FAAHTP53SOAT1
SCHEMBL28183919 0.92 FAAH (0.49) CES1CES2FAAHTP53SOAT1
SCHEMBL1226253 0.92 FAAH (0.49) CES1CES2FAAHTP53SOAT1
SCHEMBL1457558 0.84 FAAH (0.64) FAAHTP53SOAT1MEN1CYP1A2
SCHEMBL10813038 0.83 CES1 (0.44) CES1CES2FAAHTP53SOAT1
SCHEMBL10813034 0.83 CES1 (0.44) CES1CES2FAAHTP53SOAT1
SCHEMBL8691748 0.81 CES1 (0.43) CES1CES2TP53MEN1KMT2A
SCHEMBL16336735 0.81 CES1 (0.43) CES1CES2TP53MEN1KMT2A
SCHEMBL4732323 0.78 POLB (0.32) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198793-B Oxime ester photoinitiators 巴斯夫欧洲公司 2019-08-13 CN disclosed
EP-2847167-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2015-03-18 EP disclosed
EP-2788325-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2014-10-15 EP disclosed
WO-2013167515-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2013-11-14 WO disclosed
WO-2013083505-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2013-06-13 WO disclosed
EP-2144967-A2 SURFACE-MODIFIED NANOPARTICLES COMPRISING A CATIONIC COLORANT FOR USE IN COLOR FILTERS BASF SE (DE) 2010-01-20 EP disclosed
WO-2008107304-A2 SURFACE-MODIFIED NANOPARTICLES COMPRISING A CATIONIC COLORANT FOR USE IN COLOR FILTERS BASF SE (CH) 2008-09-12 WO disclosed
EP-1797146-A1 CYANOPYRIDINE-BASED AZO DYES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-06-20 EP disclosed
EP-1794240-A1 USE OF PYRIMIDO[5,4-G]PTERIDINES AS SHADING COMPONENT IN COLOR FILTER COLORANT COMPOSITIONS Ciba Specialty Chemicals Holding Inc. (CH) 2007-06-13 EP disclosed
EP-1789418-A1 COMPOSITIONS CONTAINING PHTHALOCYANINE DYES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-05-30 EP disclosed
EP-1784449-A1 COMPOSITIONS CONTAINING ANTHRAQUINONE DYES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-05-16 EP disclosed
WO-2006037728-A1 USE OF PYRIMIDO[5,4-G]PTERIDINES AS SHADING COMPONENT IN COLOR FILTER COLORANT COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-13 WO disclosed
WO-2006024617-A1 COMPOSITIONS CONTAINING ANTHRAQUINONE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2006-03-09 WO disclosed
WO-2006024619-A1 COMPOSITIONS CONTAINING PHTHALOCYANINE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2006-03-09 WO disclosed
WO-2006024618-A1 CYANOPYRIDINE-BASED AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2006-03-09 WO disclosed