Toluene

Toluene

SCHEMBL28488283

Cc1ccccc1.Cc1ccccc1.N=C=O.N=C=O.N=C=O

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.65
TSHR P16473 2/20 0.65
LMNA P02545 2/20 0.65
ALOX12 P18054 1/20 0.65
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
VCP P55072 1/20 0.38
BCHE P06276 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MTOR P42345 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35

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 SCHEMBL11099704 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL28853719 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL240812 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL29997697 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL32871 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL1132376 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL57282 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL7745465 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL29088577 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2
Toluene SCHEMBL28174229 1.00 ACHE (0.65) ACHETSHRLMNAALOX12CES2

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-105467493-B Method for producing polarizing laminate film and polarizing plate 住友化学株式会社 2020-11-13 CN disclosed