SCHEMBL396990

SCHEMBL396990

C=C(Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.59
HDAC8 Q9BY41 3/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
PGR P06401 3/20 0.51
POLB P06746 1/20 0.51
IL1RN P18510 1/20 0.50
KEAP1 Q14145 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HDAC1 Q13547 2/20 0.49
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
HDAC3 O15379 1/20 0.47
BRD4 O60885 1/20 0.47
ESR1 P03372 1/20 0.47
PTGS1 P23219 1/20 0.47
PDE4A P27815 1/20 0.47
PIK3CA P42336 1/20 0.47

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
SCHEMBL396887 0.92 HTR6 (0.62) HTR6HDAC8HDAC2HDAC6POLB
SCHEMBL393833 0.88 AKR1C3 (0.61) HTR6HDAC8HDAC2HDAC6PGR
SCHEMBL396993 0.85 ALDH1A1 (0.58) HTR6HDAC8HDAC2HDAC6MEN1
SCHEMBL397676 0.85 HDAC1 (0.68) HTR6HDAC8POLBIL1RNKEAP1
SCHEMBL396740 0.85 HDAC1 (0.59) HTR6HDAC8IL1RNKEAP1ERAP1
SCHEMBL28182427 0.83 HTR6 (0.62) HTR6HDAC8HDAC2HDAC6PGR
SCHEMBL398496 0.83 POLB (0.44) HDAC8HDAC2HDAC6POLB
SCHEMBL392908 0.83 KMT2A (0.61) MEN1KMT2AALDH1A1
SCHEMBL392888 0.81 ALDH1A1 (0.45) HDAC8HDAC2HDAC6KMT2AALDH1A1
SCHEMBL398535 0.80 KDM4E (0.52) HDAC8HDAC2HDAC6MEN1KMT2A

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