Toluene

Toluene

SCHEMBL7029684

COc1cc([N+]#N)c(OC)cc1S.Cc1ccccc1.F[B-](F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AR P10275 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA4 P22748 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
AHR P35869 1/20 0.32
KMT2A Q03164 1/20 0.32
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31

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 SCHEMBL8493100 0.83 L3MBTL1 (0.35) ALDH1A1CYP1A2CYP2C19ARKDM4E
SCHEMBL28681894 0.72 ACHE (0.48) ACHEALDH1A1CYP2C9CYP2C19AR
SCHEMBL7029681 0.71 MAPT (0.55) ACHEALDH1A1ARKDM4EHPGD
SCHEMBL2687596 0.70 CA1 (0.46) ALDH1A1CA4KMT2ATSHR
SCHEMBL6297073 0.69 CA12 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL8083005 0.69 TTR (0.49) ALDH1A1ARCA4MEN1KMT2A
SCHEMBL10564377 0.69 CA12 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
Toluene SCHEMBL8772784 0.69 CA12 (0.48) ACHEALDH1A1CYP1A2KDM4EMEN1
SCHEMBL11409076 0.69 CA12 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL8005076 0.68 AR (0.39) ALDH1A1ARMEN1KMT2ATUBB4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845708-B1 PLATE FOR WATERLESS LITHOGRAPHY TORAY INDUSTRIES (JP) 2003-02-12 EP disclosed
US-6106997-A PRINTING DURABILITY, IMAGE REPRODUCIBILITY AND STORAGE STABILITY TORAY INDUSTRIES, INC. (JP) 2000-08-22 US disclosed
EP-0845708-A1 PLATE FOR WATERLESS LITHOGRAPHY TORAY INDUSTRIES, INC. (JP) 1998-06-03 EP disclosed