SCHEMBL437822

SCHEMBL437822

C=C(C(=O)OCCOC)C(C=CC#N)C=Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
HSP90AA1 P07900 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 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
Methoxymethane SCHEMBL17812950 0.90 ALDH1A1 (0.34) AKR1B10AKR1B1ALDH1A1KMT2AKDM4E
SCHEMBL533420 0.89 AKR1B10 (0.35) AKR1B10AKR1B1ALDH1A1KMT2ALMNA
SCHEMBL544657 0.86 TDP1 (0.38) ALDH1A1LMNATSHRCYP3A4APP
Butadiene SCHEMBL11122770 0.83 TDP1 (0.36) ALDH1A1KMT2ALMNATSHRMEN1
SCHEMBL3630361 0.82 MGLL (0.47) ALDH1A1
SCHEMBL10932584 0.80 LMNA (0.38) ALDH1A1KMT2ALMNAMAPTTSHR
SCHEMBL1425048 0.79 CYP1A2 (0.41) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL7089740 0.79 KDM4E (0.38) AKR1B10AKR1B1ALDH1A1KDM4ELMNA
Butadiene SCHEMBL5050055 0.78 TSHR (0.40) AKR1B10AKR1B1ALDH1A1KMT2AKDM4E
SCHEMBL3257562 0.77 POLB (0.40) AKR1B10AKR1B1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891788-B Method for preparing lithographic printing plate 伊斯曼柯达公司 2021-05-28 CN disclosed
CN-110891788-A Method for preparing lithographic printing plate 伊斯曼柯达公司 2020-03-17 CN disclosed
US-20180157176-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND USE KODAK PORTUGUESA LIMITED 2018-06-07 US disclosed
EP-2177357-B1 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORP (JP) 2014-10-08 EP disclosed
EP-2105298-B1 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORP (JP) 2014-03-19 EP disclosed
US-8399172-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2013-03-19 US disclosed
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
EP-1972439-B1 On-press developable lithographic printing plate precursor FUJIFILM CORP (JP) 2011-01-26 EP disclosed
US-20100129616-A1 NEGATIVE-WORKING ON-PRESS DEVELOPABLE IMAGEABLE ELEMENTS PAKON, INC. 2010-05-27 US disclosed
EP-2177357-A2 Negative-working lithographic printing plate precursor and method of lithographic printing using same Fujifilm Corporation (JP) 2010-04-21 EP disclosed
US-20100055613-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2010-03-04 US disclosed
US-20090246693-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
EP-2105298-A1 Negative-working lithographic printing plate precursor and method of lithographic printing using same Fujifilm Corporation (JP) 2009-09-30 EP disclosed
US-20080254387-A1 NEGATIVE-WORKING IMAGEABLE ELEMENTS AND METHODS OF USE EASTMAN KODAK COMPANY 2008-10-16 US disclosed
US-20080229956-A1 ON-PRESS DEVELOPABLE LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-09-25 US disclosed
EP-1972439-A2 On-press developable lithographic printing plate precursor FUJIFILM Corporation (JP) 2008-09-24 EP disclosed