Toluene

Toluene

SCHEMBL1083282

CC(C)/C(C(=O)O)=C(\C(=O)O)C(C)C.Cc1ccccc1

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.38
AKR1C3 P42330 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37

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 SCHEMBL27819683 0.83 LMNA (0.58) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27527983 0.83 LMNA (0.58) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL4119715 0.81 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27517251 0.81 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27885366 0.81 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL29210071 0.80 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL29210074 0.80 LMNA (0.69) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL5179765 0.79 LMNA (0.52) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL27672905 0.79 LMNA (0.52) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL28301298 0.79 LMNA (0.52) LMNATSHRALOX12ACHECES2

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-20180228002-A1 TRANSPARENT SUBSTRATE NITTO DENKO CORPORATION (JP) 2018-08-09 US disclosed
EP-2273476-A1 TRANSPARENT SUBSTRATE Nitto Denko Corporation (JP) 2011-01-12 EP disclosed