SCHEMBL395693

SCHEMBL395693

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.55
AKR1C2 P52895 2/20 0.50
AKR1C1 Q04828 2/20 0.50
HDAC1 Q13547 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 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
SCHEMBL395694 1.00 AKR1C3 (0.55) AKR1C3AKR1C2AKR1C1HDAC1SMN1; SMN2
SCHEMBL396596 0.83 ALDH1A1 (0.52) AKR1C3AKR1C2AKR1C1HDAC1SMN1; SMN2
SCHEMBL396595 0.83 ALDH1A1 (0.52) AKR1C3AKR1C2AKR1C1HDAC1SMN1; SMN2
SCHEMBL398264 0.83 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1HDAC1SMN1; SMN2
SCHEMBL398263 0.83 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C1HDAC1SMN1; SMN2
SCHEMBL396738 0.81 HDAC1 (0.69) AKR1C3AKR1C2AKR1C1HDAC1GAA
SCHEMBL398495 0.81 AKR1C3 (0.53) AKR1C3AKR1C2HDAC1LMNATBXAS1
SCHEMBL396739 0.81 HDAC1 (0.69) AKR1C3AKR1C2AKR1C1HDAC1GAA
SCHEMBL398494 0.81 AKR1C3 (0.53) AKR1C3AKR1C2HDAC1LMNATBXAS1
SCHEMBL8490337 0.81 AKR1C3 (0.65) AKR1C3AKR1C2AKR1C1PTGS2

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 3 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
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