Toluene

Toluene

SCHEMBL9640429

CCC(C)=O.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
ALOX12 P18054 1/20 0.55
ACHE P22303 1/20 0.55
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
HSD11B1 P28845 1/20 0.41
AKR1C3 P42330 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 SCHEMBL170599 1.00 LMNA (0.55) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL9639878 1.00 LMNA (0.55) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL11241972 1.00 LMNA (0.55) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL10621122 0.98 LMNA (0.52) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL6905806 0.98 LMNA (0.52) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL27517567 0.98 LMNA (0.52) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL5367099 0.93 TSHR (0.48) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL11408666 0.93 LMNA (0.48) LMNATSHRALOX12ACHEALDH1A1
O-Xylene SCHEMBL28182446 0.93 TSHR (0.48) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL9715675 0.91 LMNA (0.46) LMNATSHRALOX12ACHEALDH1A1

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-5164451-A Polyperoxides NIPPON OIL AND FATS CO., LTD. (JP) 1992-11-17 US disclosed