Toluene

Toluene

SCHEMBL27878733

CCOP(=O)(C=O)c1ccccc1.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.50
ACHE P22303 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NR1I2 O75469 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL27699201 0.92 AOX1 (0.49) AOX1ACHEMEN1KMT2APOLB
SCHEMBL27727492 0.86 AOX1 (0.47) AOX1ACHEMEN1KMT2APOLB
SCHEMBL5671312 0.79 ACHE (0.51) AOX1ACHEMEN1KMT2APOLB
SCHEMBL7110763 0.77 ACHE (0.50) AOX1ACHEMEN1KMT2APOLB
SCHEMBL776427 0.77 AOX1 (0.54) AOX1ACHEMEN1KMT2APOLB
Triethyl Phosphate SCHEMBL4555110 0.76 TSHR (0.56) AOX1ACHEMEN1KMT2APOLB
Toluene SCHEMBL27896618 0.75 AOX1 (0.44) AOX1ACHEMEN1KMT2APOLB
Toluene SCHEMBL29150558 0.73 TP53 (0.60) AOX1ACHEMEN1KMT2APOLB
Toluene SCHEMBL27338066 0.72 LMNA (0.48) AOX1ACHEMEN1KMT2APOLB
Triphenylphosphine Oxide SCHEMBL29014409 0.71 LMNA (0.58) ACHEMEN1KMT2APOLBNPSR1

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-102498164-A Multilayer product comprising acrylate-containing coating BAYER MATERIALSCIENCE AG 2012-06-13 CN disclosed