Toluene

Toluene

SCHEMBL9233308

CCC(C)OC(C)CC.Cc1ccccc1

nearest known ligand 0.50

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
MAPT P10636 2/20 0.37
TRPA1 O75762 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 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
P-Xylene SCHEMBL8750425 0.88 ACHE (0.42) ACHEMAPTALDH1A1TDP1
Benzene SCHEMBL7448603 0.83 MAPK1 (0.40) LMNATSHRMAPTTRPA1
Toluene SCHEMBL5025517 0.80 LMNA (0.61) LMNATSHRALOX12ACHETRPA1
Toluene SCHEMBL8159259 0.80 LMNA (0.61) LMNATSHRALOX12ACHETRPA1
Toluene SCHEMBL8151758 0.80 LMNA (0.61) LMNATSHRALOX12ACHETRPA1
SCHEMBL14667578 0.80 TRPA1 (0.52) TRPA1TP53
Toluene SCHEMBL4008030 0.76 LMNA (0.55) LMNATSHRALOX12ACHETRPA1
SCHEMBL20012674 0.76 LMNA (0.45) LMNAMAPTTRPA1MEN1KMT2A
SCHEMBL13955930 0.76 LMNA (0.45) LMNAMAPTTRPA1MEN1KMT2A
SCHEMBL13813820 0.76 LMNA (0.45) LMNATSHRMAPTTRPA1SMN1; SMN2

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
EP-0664316-A1 Polycarbonate composition having improved resistance to gamma-ray radiation TEIJIN LIMITED (JP) 1995-07-26 EP disclosed