Toluene

Toluene

SCHEMBL27419686

CC(=O)C(c1ccccc1)c1ccccc1.Cc1ccccc1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 4/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
ACHE P22303 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL11641774 0.94 CNR1 (0.54) MEN1KMT2AL3MBTL1TDP1LMNA
SCHEMBL396389 0.91 L3MBTL1 (0.56) KMT2AL3MBTL1TDP1LMNAHDAC3
Benzene SCHEMBL27414119 0.91 L3MBTL1 (0.56) KMT2AL3MBTL1TDP1LMNAHDAC3
SCHEMBL27924002 0.89 L3MBTL1 (0.54) KMT2AL3MBTL1TDP1LMNAHDAC3
Bicarbonate SCHEMBL28144656 0.89 L3MBTL1 (0.54) KMT2AL3MBTL1TDP1LMNAHDAC3
SCHEMBL17710384 0.89 L3MBTL1 (0.54) KMT2AL3MBTL1TDP1LMNAHDAC3
Bicarbonate SCHEMBL19031939 0.89 L3MBTL1 (0.54) KMT2AL3MBTL1TDP1LMNAHDAC3
SCHEMBL29024912 0.89 L3MBTL1 (0.54) KMT2AL3MBTL1TDP1LMNAHDAC3
SCHEMBL22917247 0.88 ACP3 (0.53) MEN1KMT2AL3MBTL1TDP1LMNA
SCHEMBL9165870 0.81 L3MBTL1 (0.47) L3MBTL1TDP1LMNAHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1089084-C Process for preparing sodium diphacinone from purified meta-diphenylpropanone YE DINGYUE (CN) 2002-08-14 CN disclosed
CN-1240784-A Process for preparing sodium diphacinone from purified meta-diphenylpropanone YE DINGYUE (CN) 2000-01-12 CN disclosed