Toluene

Toluene

SCHEMBL8994440

CC(=O)Cc1ccc(C)c(CC(C)=O)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.41

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
CTBP2 P56545 3/20 0.39
SLC22A12 Q96S37 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAOB P27338 1/20 0.36
SRD5A2 P31213 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
Toluene SCHEMBL1079482 1.00 L3MBTL1 (0.41) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL8907280 1.00 L3MBTL1 (0.41) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL1159746 1.00 L3MBTL1 (0.41) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
SCHEMBL7789892 0.90 POLB (0.42) L3MBTL1TDP1LMNAMEN1KMT2A
SCHEMBL2332010 0.85 SLC22A12 (0.44) TDP1SMN1; SMN2LMNAMEN1KMT2A
Toluene SCHEMBL1245378 0.83 L3MBTL1 (0.45) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL7782221 0.83 L3MBTL1 (0.45) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL1245372 0.83 L3MBTL1 (0.45) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
Toluene SCHEMBL1078154 0.83 L3MBTL1 (0.45) L3MBTL1TDP1SMN1; SMN2LMNAMEN1
SCHEMBL210161 0.81 PKM (0.42) L3MBTL1LMNAMEN1KMT2AGAA

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-5512564-A VIRICIDES, AIDS BOEHRINGER MANNHEIM GMBH (DE) 1996-04-30 US disclosed