Toluene

Toluene

SCHEMBL10790791

Cc1ccccc1.O=S(=O)(O)OO

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ ALOX12 P18054 2/20 0.52
▸ ACHE P22303 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 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
Toluene SCHEMBL27598259 0.86 TSHR (0.52) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL3411689 0.86 TSHR (0.52) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL11606666 0.85 TSHR (0.58) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL11123126 0.85 LMNA (0.65) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL248686 0.85 LMNA (0.65) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL28199551 0.84 LMNA (0.50) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL9093263 0.84 TSHR (0.50) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL27501407 0.84 LMNA (0.50) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL28099821 0.84 TSHR (0.50) LMNATSHRALOX12ACHESMN1; SMN2
Toluene SCHEMBL5070324 0.82 LMNA (0.61) LMNATSHRALOX12ACHESMN1; SMN2

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-0124969-B1 PEROXYGEN COMPOUND, A PROCESS FOR ITS MANUFACTURE, AND PROCESSES AND COMPOSITIONS FOR ITS USE IN BLEACHING, DISINFECTING, SANITISING OR WASHING Interox Chemicals Limited (GB) 1987-12-23 — — EP disclosed
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