Toluene

Toluene

SCHEMBL27917895

CCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC.Cc1ccccc1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALOX12 P18054 1/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 3/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAAA Q02083 1/20 0.36
LTA4H P09960 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL29113009 0.87 KCNH2 (0.36) TSHRHTTKCNH2ALDH1A1NAAA
Toluene SCHEMBL16859706 0.84 LMNA (0.47) LMNATSHRALOX12ACHEHTT
SCHEMBL8170696 0.83 KCNH2 (0.36) HTTKCNH2ALDH1A1NAAALTA4H
Toluene SCHEMBL1059744 0.83 KIF11 (0.40) LMNATSHRALOX12ACHEKCNH2
Toluene SCHEMBL28368828 0.83 LMNA (0.38) LMNATSHRALOX12ACHEHTT
Toluene SCHEMBL2871482 0.83 LMNA (0.38) LMNATSHRALOX12ACHEHTT
SCHEMBL25394887 0.81 LTA4H (0.41) LMNATSHRHTTKCNH2ALDH1A1
SCHEMBL31187719 0.81 LTA4H (0.41) LMNATSHRHTTKCNH2ALDH1A1
SCHEMBL31187711 0.81 LTA4H (0.41) LMNATSHRHTTKCNH2ALDH1A1
SCHEMBL19816736 0.81 LTA4H (0.41) LMNATSHRHTTKCNH2ALDH1A1

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-103073994-A Method for preparing homogeneous mixed self-assembled monomolecular film through steric hindrance UNIV ZHEJIANG 2013-05-01 CN disclosed