Toluene

Toluene

SCHEMBL28240296

C=COCCCC.Cc1ccccc1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
ALOX12 P18054 1/20 0.41
ACHE P22303 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MITF O75030 1/20 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
Biphenyl SCHEMBL25386439 0.87 LTA4H (0.44) LTA4HALDH1A1KDM4EMAPTHTT
Benzene SCHEMBL29113126 0.86 TSHR (0.40) LTA4HALDH1A1KDM4EMAPTHTT
Styrene SCHEMBL4372236 0.84 ALDH1A1 (0.50) LTA4HALDH1A1KDM4EMAPTHTT
Butyl Formate SCHEMBL28287342 0.81 LTA4H (0.43) LTA4HALDH1A1LMNATSHRALOX12
Toluene SCHEMBL8093134 0.80 LTA4H (0.48) LTA4HLMNATSHRALOX12ACHE
SCHEMBL19482 0.79
SCHEMBL29113106 0.78 RELA (0.44) LTA4HALDH1A1KDM4EMAPTHTT
Toluene SCHEMBL349785 0.78 TSHR (0.50) LTA4HALDH1A1LMNATSHRALOX12
Ethylene SCHEMBL1230162 0.77
Fluoride SCHEMBL27475057 0.77

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-108559353-A The good building coating of ductility 苏州明上系统科技有限公司 2018-09-21 CN disclosed