SCHEMBL8570841

SCHEMBL8570841

C/C=C/COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.56
GAA P10253 4/20 0.56
ELANE P08246 2/20 0.49
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.44
MMP1 P03956 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 2/20 0.40
ENPP2 Q13822 1/20 0.39
LTA4H P09960 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
KMT2A Q03164 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
SCHEMBL8570843 1.00 PKM (0.56) PKMGAAELANEALDH1A1NPSR1
SCHEMBL11153383 0.92 ALDH1A1 (0.49) PKMGAAELANEALDH1A1NPSR1
SCHEMBL50901 0.90 PKM (0.58) PKMGAAELANEALDH1A1NPSR1
SCHEMBL51114 0.90 PKM (0.58) PKMGAAELANEALDH1A1NPSR1
SCHEMBL51420 0.90 PKM (0.58) PKMGAAELANEALDH1A1NPSR1
SCHEMBL50900 0.90 PKM (0.58) PKMGAAELANEALDH1A1NPSR1
SCHEMBL51566 0.90 PKM (0.58) PKMGAAELANEALDH1A1NPSR1
SCHEMBL10576836 0.87 LTA4H (0.48) LMNALTA4HKMT2A
SCHEMBL6285930 0.86 GAA (0.53) PKMGAAELANEALDH1A1NPSR1
SCHEMBL6297164 0.84 GAA (0.51) PKMGAAELANEALDH1A1NPSR1

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-5801288-A Diphenyl sulfone derivative and recording material prepared therefrom NIPPON SODA CO., LTD. (JP) 1998-09-01 US disclosed