Toluene

Toluene

SCHEMBL28280504

Cc1ccccc1.NC(=O)CCCCC(N)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 3/20 0.45
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
ALDH1A1 P00352 2/20 0.42
PARP1 P09874 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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 SCHEMBL27623471 0.92 HDAC3 (0.53) LMNATSHRKMT2AL3MBTL1TDP1
Octadecanoic Acid Amide SCHEMBL27647461 0.90 CES2 (0.54) TSHRMEN1KMT2ATDP1CES2
Toluene SCHEMBL28300792 0.90 GPR84 (0.43) LMNATSHRALOX12ACHEMEN1
P-Xylene SCHEMBL746836 0.88 ALDH1A1 (0.52) LMNAACHERAB9AKMT2AL3MBTL1
Toluene SCHEMBL28072686 0.87 CES2 (0.47) LMNATSHRALOX12ACHEMEN1
P-Xylene SCHEMBL18427877 0.86 ALDH1A1 (0.50) LMNAMEN1KMT2ATDP1CES2
P-Xylene SCHEMBL6033011 0.86 ALDH1A1 (0.50) LMNAMEN1KMT2ATDP1CES2
M-Xylene SCHEMBL48776 0.84 PARP1 (0.55) LMNAACHEKMT2ATDP1PARP1
O-Xylene SCHEMBL746837 0.84 TSHR (0.48) LMNATSHRACHEL3MBTL1TDP1
Toluene SCHEMBL10973065 0.84 LMNA (0.52) LMNATSHRALOX12ACHEMEN1

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
CN-109679345-B Polyphenylene sulfide composite material and preparation method and application thereof 苏州纳磐新材料科技有限公司 2020-05-05 CN disclosed
CN-208993300-U Ink receptive bag 精工爱普生株式会社 2019-06-18 CN disclosed
CN-109476137-A Oxygen absorption packaging material 东洋制罐集团控股株式会社 2019-03-15 CN disclosed