Toluene

Toluene

SCHEMBL11253136

C=Cc1cccc(C=C)c1.Cc1ccccc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ACHE P22303 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
PTGS2 P35354 3/20 0.44
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NFE2L2 Q16236 1/20 0.38
EGFR P00533 1/20 0.38
MMP1 P03956 1/20 0.38

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
Styrene SCHEMBL7641096 0.89 TP53 (0.87) TP53TDP1TSHRALDH1A1ACHE
Benzene SCHEMBL28405057 0.88 TP53 (0.95) TP53TDP1TSHRALDH1A1ACHE
Styrene SCHEMBL271801 0.88 ALDH1A1 (0.74) TP53TDP1TSHRALDH1A1ACHE
Styrene SCHEMBL8859296 0.88 ALDH1A1 (0.74) TP53TDP1TSHRALDH1A1ACHE
Styrene SCHEMBL6061931 0.86 TP53 (0.75) TP53TDP1TSHRALDH1A1ACHE
Styrene SCHEMBL6152918 0.86 ALDH1A1 (0.70) TP53TDP1TSHRALDH1A1ACHE
SCHEMBL679453 0.86 TP53 (1.00) TP53TDP1TSHRALDH1A1ACHE
SCHEMBL15008 0.86
SCHEMBL29464940 0.86
Styrene SCHEMBL8164745 0.86 ALDH1A1 (0.70) TP53TDP1TSHRALDH1A1ACHE

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
US-4311799-A DIVINYLBENZENE, AMINOETHYLSTYRENE DERIVATIVE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-01-19 US disclosed