Toluene

Toluene

SCHEMBL9066331

CCCCc1ccc(C(=O)O)c(C(=O)O)c1CCCC.Cc1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 5/20 0.43
MCL1 Q07820 5/20 0.43
BCL2L1 Q07817 4/20 0.43
BAK1 Q16611 4/20 0.43
PPARA Q07869 3/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
CNR2 P34972 3/20 0.42
AGTR1 P30556 1/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 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
Phthalic Acid SCHEMBL466622 0.93 BID (0.44) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL22769 0.93 BID (0.45) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5150739 0.93 BID (0.45) BIDMCL1BCL2L1BAK1PPARA
O-Xylene SCHEMBL6228935 0.91 BID (0.43) BIDMCL1BCL2L1BAK1PPARA
Methyl Alcohol SCHEMBL28771989 0.91 BID (0.44) BIDMCL1BCL2L1BAK1PPARA
Methane SCHEMBL3630789 0.91 BID (0.44) BIDMCL1BCL2L1BAK1PPARA
Benzoic Acid SCHEMBL11316040 0.90 RARB (0.43) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL9580941 0.90 PPARA (0.50) BIDMCL1BCL2L1BAK1PPARA
Alcohol SCHEMBL11202827 0.90 PPARA (0.43) BIDMCL1BCL2L1BAK1PPARA
Acetone SCHEMBL356939 0.90 BID (0.43) BIDMCL1BCL2L1BAK1PPARA

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
EP-0268685-B2 CATALYST FOR POLYMERIZING OLEFINS TOHO TITANIUM CO LTD (JP) 1996-08-07 EP claimed