Toluene

Toluene

SCHEMBL7649668

CCOCCOCCOCC.Cc1ccccc1

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 1/20 0.52
ACHE P22303 1/20 0.52
KDM4E B2RXH2 1/20 0.40
NCF1 P14598 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
LTA4H P09960 1/20 0.35
GLA P06280 1/20 0.35

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 SCHEMBL3648121 0.98 LMNA (0.55) LMNATSHRALOX12ACHEKDM4E
Diethylene Glycol Monoethyl Ether SCHEMBL28056157 0.90 ALDH1A1 (0.54) LMNATSHRALOX12ACHEKDM4E
Toluene SCHEMBL8107016 0.87 TSHR (0.61) LMNATSHRALOX12ACHEKDM4E
Toluene SCHEMBL98542 0.87 TSHR (0.61) LMNATSHRALOX12ACHEKDM4E
Toluene SCHEMBL8618202 0.87 TSHR (0.61) LMNATSHRALOX12ACHEKDM4E
Toluene SCHEMBL8432145 0.87 TSHR (0.61) LMNATSHRALOX12ACHEKDM4E
Toluene SCHEMBL10589554 0.87 TSHR (0.61) LMNATSHRALOX12ACHEKDM4E
Toluene SCHEMBL11442347 0.87 TSHR (0.61) LMNATSHRALOX12ACHEKDM4E
Toluene SCHEMBL4611849 0.87 TSHR (0.61) LMNATSHRALOX12ACHEKDM4E
Toluene SCHEMBL6666240 0.87 TSHR (0.61) LMNATSHRALOX12ACHEKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465126-B1 Binder and/or electrolyte material TELEFONAKTIEBOLAGET L M ERICSSON (PUBL) (SE) 2002-10-15 US disclosed
WO-2000077870-A1 A BINDER AND/OR ELECTROLYTE MATERIAL TELEFONAKTIEBOLAGET LM ERICSSON (PUBL) (SE) 2000-12-21 WO disclosed