SCHEMBL7040342

SCHEMBL7040342

CCCN(C(=O)Nc1ccc(O)cc1)S(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.45
CA9 Q16790 6/20 0.45
CA1 P00915 2/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ESR1 P03372 2/20 0.41
MTOR P42345 1/20 0.41
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
NPY5R Q15761 1/20 0.39
BCAT2 O15382 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38

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
SCHEMBL6865449 0.93 CA12 (0.47) CA12CA9CA1POLBMAPT
SCHEMBL6866165 0.92 CA12 (0.48) CA12CA9CA1POLBGAA
SCHEMBL6868979 0.91 CA12 (0.44) CA12CA9CA1MTORCA2
SCHEMBL6868006 0.82 MTOR (0.46) CA12CA9CA1GAAMTOR
SCHEMBL3454762 0.77 CA12 (0.55) CA12CA9CA1POLBGAA
SCHEMBL30076512 0.72 CA12 (0.52) CA12CA9CA1POLBGAA
SCHEMBL6865455 0.70 CA12 (0.49) CA12CA9CA1GAAMAPT
SCHEMBL6868990 0.70 ALDH1A1 (0.55) CA12CA9CA1POLBGAA
SCHEMBL7040350 0.70 CA12 (0.48) CA12CA9CA1GAAMAPT
Diethylamine SCHEMBL22229832 0.70 PTGES (0.62) CA12CA9CA1POLBGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806291-B1 2-(((4-HYDROXYPHENYL)CARBAMOYL)ALKYLSULFAMOYL)BENZOIC ACIDS; LIMITED HEPATOTOXIC EFFECT THE FOUNDATION FOR THE LSU HEALTH SCIENCES CENTER 2004-10-19 US disclosed