SCHEMBL398495

SCHEMBL398495

CNS(=O)(=O)c1cccc(C=C(C)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.53
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
BRD4 O60885 1/20 0.41
ESR1 P03372 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
PIK3CA P42336 1/20 0.41
HTR6 P50406 1/20 0.41
PDE4D Q08499 1/20 0.41
ASPH Q12797 1/20 0.41

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
SCHEMBL398494 1.00 AKR1C3 (0.53) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL396988 0.85 HDAC1 (0.60) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL398533 0.85 MAPT (0.54) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL396102 0.85 AKR1C3 (0.49) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL396989 0.85 HDAC1 (0.60) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL392886 0.85 AKR1C3 (0.49) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL398534 0.85 MAPT (0.54) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL396101 0.85 AKR1C3 (0.49) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL392887 0.85 AKR1C3 (0.49) AKR1C3HDAC1HDAC3HDAC4HDAC7
SCHEMBL4871097 0.83 AKR1C3 (0.58) AKR1C3AKR1C2TBXAS1SLC9A1SLC9A3

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 2 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