SCHEMBL397626

SCHEMBL397626

C/C(=C\c1ccc(NS(C)(=O)=O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
HDAC1 Q13547 2/20 0.52
KEAP1 Q14145 1/20 0.48
PTGS2 P35354 3/20 0.46
ESR1 P03372 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL397627 1.00 AKR1C3 (0.55) AKR1C3HDAC1KEAP1PTGS2ESR1
SCHEMBL398076 0.84 HPGD (0.57) AKR1C3HDAC1PTGS2HPGDKDM4E
SCHEMBL398077 0.84 HPGD (0.57) AKR1C3HDAC1PTGS2HPGDKDM4E
SCHEMBL398665 0.81 ALDH1A1 (0.55) AKR1C3HDAC1KEAP1HPGDALDH1A1
SCHEMBL397675 0.81 HDAC1 (0.78) AKR1C3HDAC1KEAP1ALDH1A1HDAC3
SCHEMBL398664 0.81 ALDH1A1 (0.55) AKR1C3HDAC1KEAP1HPGDALDH1A1
SCHEMBL397674 0.81 HDAC1 (0.78) AKR1C3HDAC1KEAP1ALDH1A1HDAC3
SCHEMBL2462984 0.80 AKR1C3 (0.82) AKR1C3KDM4EALDH1A1HTTTBXAS1
SCHEMBL2462983 0.80 AKR1C3 (0.82) AKR1C3KDM4EALDH1A1HTTTBXAS1
SCHEMBL397356 0.79 HDAC1 (0.62) HDAC1HPGDALDH1A1LMNAHDAC3

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
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-1972440-B1 Negative lithographic printing plate precursor and lithographic printing method using the same FUJIFILM CORP (JP) 2010-06-23 EP 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-20080233516-A1 NEGATIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-09-25 US disclosed
EP-1972440-A2 Negative lithographic printing plate precursor and lithographic printing method using the same FUJIFILM Corporation (JP) 2008-09-24 EP disclosed