SCHEMBL396101

SCHEMBL396101

C/C(=C\c1cccc(S(=O)(=O)NC(C)C)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.49
HTR2B P41595 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
PTPN11 Q06124 2/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 1/20 0.39
BRD4 O60885 1/20 0.39
ESR1 P03372 1/20 0.39
PTGS1 P23219 1/20 0.39
PDE4A P27815 1/20 0.39
PIK3CA P42336 1/20 0.39
HTR6 P50406 1/20 0.39
HDAC4 P56524 1/20 0.39
PDE4D Q08499 1/20 0.39
ASPH Q12797 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL396102 1.00 AKR1C3 (0.49) AKR1C3HTR2BNPSR1PTPN11PTPN1
SCHEMBL395828 0.87 AKR1C3 (0.44) AKR1C3NPSR1TBXAS1ALDH1A1SLC1A3
SCHEMBL395827 0.87 AKR1C3 (0.44) AKR1C3NPSR1TBXAS1ALDH1A1SLC1A3
SCHEMBL398495 0.85 AKR1C3 (0.53) AKR1C3HDAC1HDAC8HDAC6HDAC3
SCHEMBL398494 0.85 AKR1C3 (0.53) AKR1C3HDAC1HDAC8HDAC6HDAC3
SCHEMBL396714 0.83 AKR1C3 (0.45) AKR1C3HDAC1HDAC8HDAC6HDAC3
SCHEMBL396715 0.83 AKR1C3 (0.45) AKR1C3HDAC1HDAC8HDAC6HDAC3
SCHEMBL396989 0.81 HDAC1 (0.60) AKR1C3HDAC1HDAC8HDAC6HDAC3
SCHEMBL398534 0.81 MAPT (0.54) AKR1C3HDAC1HDAC8HDAC6HDAC3
SCHEMBL392886 0.81 AKR1C3 (0.49) AKR1C3HDAC1HDAC8HDAC6HDAC3

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