Toluene

Toluene

SCHEMBL28069668

C=CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C.Cc1ccccc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.66
ELANE P08246 2/20 0.53
MAPT P10636 4/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
XBP1 P17861 1/20 0.50
CYP19A1 P11511 2/20 0.48
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
Phenol SCHEMBL8033747 0.91 CYP2C19 (0.66) CYP2C19ELANEMAPTKMT2AMAPK1
Styrene SCHEMBL6757449 0.89 CYP2C19 (0.71) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL26704 0.87 CYP2C19 (0.59) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL9227026 0.87 CYP2C19 (0.59) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL16168302 0.87 CYP2C19 (0.59) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL15778738 0.87 CYP2C19 (0.59) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL17917072 0.87 CYP2C19 (0.59) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL22902902 0.87 CYP2C19 (0.59) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL21838264 0.87 CYP2C19 (0.59) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL1185726 0.87 CYP2C19 (0.59) CYP2C19ELANEMAPTKMT2AMAPK1

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-105646762-A High-solid-content high-gloss quick-drying water-soluble hydroxy acrylic resin and preparation method thereof 广州市波特化工有限公司 2016-06-08 CN disclosed