SCHEMBL6866165

SCHEMBL6866165

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
ICMT O60725 2/20 0.40
ALB P02768 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.39
MTOR P42345 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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 0.97 CA12 (0.47) CA12CA9ESR1ESR2MTOR
SCHEMBL7040342 0.92 CA12 (0.45) CA12CA9ESR1MTORCA1
SCHEMBL6868979 0.88 CA12 (0.44) CA12CA9MTORCA1CA2
SCHEMBL6868006 0.79 MTOR (0.46) CA12CA9MTORALDH1A1CA1
SCHEMBL3454762 0.71 CA12 (0.55) CA12CA9CA1CA2MEN1
SCHEMBL6866173 0.71 CA12 (0.51) CA12CA9ALDH1A1MAPK1CA1
SCHEMBL6865455 0.68 CA12 (0.49) CA12CA9ALDH1A1MAPK1CA1
SCHEMBL8982627 0.68 CA12 (0.61) CA12CA9ALDH1A1CA1CA2
SCHEMBL6868990 0.68 ALDH1A1 (0.55) CA12CA9ALDH1A1CA1CA2
SCHEMBL7040350 0.68 CA12 (0.48) CA12CA9ALDH1A1MAPK1CA1

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