Toluene

Toluene

SCHEMBL28294922

CCCCCc1c(O)cccc1OCC.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.50
CNR2 P34972 7/20 0.50
PTGS2 P35354 2/20 0.42
ALOX5 P09917 1/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL677347 0.91 CNR1 (0.57) CNR1CNR2PTGS2ALOX5BID
SCHEMBL8757422 0.91 CNR1 (0.57) CNR1CNR2PTGS2ALOX5BID
SCHEMBL29508273 0.91 CNR1 (0.57) CNR1CNR2PTGS2ALOX5BID
SCHEMBL10426325 0.91 CNR1 (0.57) CNR1CNR2PTGS2ALOX5BID
SCHEMBL27830010 0.91 CNR1 (0.57) CNR1CNR2PTGS2ALOX5BID
SCHEMBL25382247 0.88 CNR1 (0.50) CNR1CNR2PTGS2ALOX5GLA
Sulfuric Acid SCHEMBL27552495 0.83 CNR1 (0.54) CNR1CNR2PTGS2ALOX5BID
Sulfuric Acid SCHEMBL27552496 0.83 CNR1 (0.54) CNR1CNR2PTGS2ALOX5BID
SCHEMBL17509786 0.83 CNR1 (0.51) CNR1CNR2PTGS2ALOX5BID
SCHEMBL28322025 0.83 CNR1 (0.62) CNR1CNR2PTGS2ALOX5

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-109789066-A Drug and make-up composition containing resorcinol derivatives 西姆莱斯股份公司 2019-05-21 CN disclosed