Butanedione

Butanedione

SCHEMBL28856348

CC(=O)C(C)=O.O=C=NC(=O)c1cccc(C(=O)N=C=O)c1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FURIN P09958 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MET P08581 1/20 0.37
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3395919 0.92 L3MBTL1 (0.43) FURINL3MBTL1CES2CES1ATM
SCHEMBL5555845 0.88 TDP1 (0.40) FURINL3MBTL1CES2CES1ATM
SCHEMBL4092403 0.83 PARP1 (0.53) TDP1HDAC8HDAC6KMT2AMEN1
SCHEMBL27511887 0.82 LOXL2 (0.49) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL9117144 0.79 CES2 (0.57) L3MBTL1CES2CES1HDAC6KMT2A
SCHEMBL28864381 0.79 PARP1 (0.53) L3MBTL1KMT2AMEN1GAAMAPT
SCHEMBL10792089 0.79 PARP1 (0.53) L3MBTL1KMT2AMEN1GAAMAPT
SCHEMBL16590388 0.79 BCL2 (0.44) HDAC8HDAC6KMT2AMEN1MAPT
SCHEMBL6997537 0.79 CES2 (0.61) CES2CES1KMT2AMEN1MAPT
SCHEMBL16590397 0.79 MET (0.34) TDP1METKMT2AGAAMAPT

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
CN-115141593-A Adhesive for formaldehyde-free plant fibers and preparation method thereof 郦玉孺 2022-10-04 CN disclosed