Toluene

Toluene

SCHEMBL28150255

CCCCCC(=O)OCC.Cc1ccccc1.[La]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
ALDH1A1 P00352 1/20 0.54
PAM P19021 2/20 0.50
DGKA P23743 1/20 0.50
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TOP2A P11388 1/20 0.48
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
TBXAS1 P24557 3/20 0.46
GAA P10253 1/20 0.46
LTA4H P09960 1/20 0.46
NAMPT P43490 1/20 0.46

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 SCHEMBL4749551 0.97 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1PAMDGKA
Toluene SCHEMBL6270207 0.97 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1PAMDGKA
Toluene SCHEMBL28096369 0.93 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1ALOX5SMN1; SMN2
Benzene SCHEMBL27587293 0.88 DGKA (0.63) CYP4F2CYP4A11ALDH1A1PAMDGKA
Toluene SCHEMBL28304376 0.87 DGKA (0.61) ALDH1A1PAMDGKA
Toluene SCHEMBL28296748 0.87 DGKA (0.61) ALDH1A1PAMDGKA
Toluene SCHEMBL28074309 0.87 DGKA (0.55) CYP4F2CYP4A11ALDH1A1DGKAGAA
Toluene SCHEMBL8513838 0.86 SMN1; SMN2 (0.54) CYP4F2CYP4A11ALDH1A1ALOX5SMN1; SMN2
Benzene SCHEMBL9428840 0.86 DGKA (0.67) ALDH1A1PAMDGKA
Toluene SCHEMBL10779605 0.85 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1ALOX5SMN1; 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
CN-106876475-A Field-effect transistor, display element, image display device and system 株式会社理光 2017-06-20 CN disclosed