SCHEMBL8527129

SCHEMBL8527129

CCOOP(=O)(OOCC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
TDP1 Q9NUW8 1/20 0.47
AOX1 Q06278 1/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CFTR P13569 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL8583780 0.83 MEN1 (0.55) L3MBTL1AOX1ACHEMEN1KMT2A
SCHEMBL3183166 0.83 MEN1 (0.35) L3MBTL1TDP1AOX1ACHEMEN1
SCHEMBL9751694 0.80 L3MBTL1 (0.46) L3MBTL1AOX1ACHEMEN1KMT2A
SCHEMBL358474 0.78 MEN1 (0.59) L3MBTL1TDP1AOX1ACHEMEN1
SCHEMBL4411675 0.78 NPSR1 (0.36) L3MBTL1AOX1ACHEMEN1KMT2A
SCHEMBL11253975 0.77 GAA (0.38) L3MBTL1MEN1KMT2APOLBALDH1A1
SCHEMBL10380089 0.76 L3MBTL1 (0.52) L3MBTL1TDP1MEN1KMT2ACFTR
Triphenylphosphine Oxide SCHEMBL8846399 0.75 MEN1 (0.60) L3MBTL1TDP1AOX1ACHEMEN1
SCHEMBL18261810 0.73 MEN1 (0.54) L3MBTL1TDP1AOX1ACHEMEN1
Phosphoric Acid SCHEMBL28091785 0.73 MEN1 (0.58) L3MBTL1AOX1ACHEMEN1KMT2A

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
WO-1998017640-A1 HYDROGEN PEROXIDE ADDUCTS SOLVAY INTEROX LIMITED (GB) 1998-04-30 WO disclosed