SCHEMBL7775878

SCHEMBL7775878

Cc1ccc(S(=O)(=O)n2ccc(CC(=O)O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HTR6 P50406 1/20 0.48
PKM P14618 2/20 0.46
GRM4 Q14833 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
KDM4E B2RXH2 1/20 0.42
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL4513275 0.87 CA1 (0.49) CA1CA2HTR6PKMGRM4
SCHEMBL5036587 0.86 HTR6 (0.58) HTR6PKMGRM4GAAALDH1A1
SCHEMBL18920680 0.86 HTR6 (0.52) CA1CA2HTR6PKMGRM4
SCHEMBL7781061 0.85 CA1 (0.46) CA1CA2HTR6PKMGRM4
SCHEMBL4521506 0.83 CA1 (0.54) CA1CA2HTR6PKMGRM4
SCHEMBL10050491 0.82 CA1 (0.44) CA1CA2HTR6PKMGRM4
SCHEMBL13757301 0.82 HTR6 (0.49) CA1CA2HTR6PKMGRM4
SCHEMBL18920633 0.81 CA1 (0.43) CA1CA2HTR6PKMGRM4
SCHEMBL4227579 0.81 HTR6 (0.52) CA1CA2HTR6PKMGRM4
SCHEMBL21806794 0.80 CA1 (0.54) CA1CA2HTR6PKMGRM4

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
EP-1138048-A1 ELECTRICALLY CONDUCTIVE ELECTROACTIVE FUNCTIONALIZED CONJUGATED POLYMERS, AND USES THEREOF BIO MERIEUX (FR) 2001-10-04 EP disclosed
US-6201086-B1 POLYPYRROLE COVALENTLY BONDED TO A MOLECULE CAPABLE OF BINDING TO BIOLOGICAL MOLECULES OR ANTILIGANDS; USED TO FORM AN ELECTRODE AND IN ASSAYS BIO MERIEUX (FR) 2001-03-13 US disclosed
WO-2000031750-A1 ELECTRICALLY CONDUCTIVE ELECTROACTIVE FUNCTIONALIZED CONJUGATED POLYMERS, AND USES THEREOF BIO MERIEUX (FR) 2000-06-02 WO disclosed