Toluene

Toluene

SCHEMBL10706293

CCC(=O)O.CO.Cc1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 20)

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
FFAR3 O14843 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
AKR1B1 P15121 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 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 SCHEMBL1650313 0.97 LMNA (0.58) LMNATSHRALOX12ACHEFFAR3
Toluene SCHEMBL27592105 0.97 LMNA (0.58) LMNATSHRALOX12ACHEFFAR3
Naphthalene SCHEMBL27294073 0.91 LMNA (0.50) LMNATSHRALOX12ACHEFFAR3
P-Xylene SCHEMBL27949447 0.87 FFAR3 (0.59) LMNAACHEFFAR3KMT2AMEN1
Toluene SCHEMBL11241972 0.85 LMNA (0.55) LMNATSHRALOX12ACHEKMT2A
Toluene SCHEMBL6344517 0.85 LMNA (0.55) LMNATSHRALOX12ACHEKMT2A
Toluene SCHEMBL170599 0.85 LMNA (0.55) LMNATSHRALOX12ACHEKMT2A
Toluene SCHEMBL9640429 0.85 LMNA (0.55) LMNATSHRALOX12ACHEKMT2A
Toluene SCHEMBL9639878 0.85 LMNA (0.55) LMNATSHRALOX12ACHEKMT2A
Toluene SCHEMBL28204715 0.85 LMNA (0.55) LMNATSHRALOX12ACHEKMT2A

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
EP-0119427-B1 COATING POWDER OF SAPONIFIED ETHYLENE/VINYL ACETATE COPOLYMERS, AND THEIR USE BAYER AG (DE) 1988-01-20 EP disclosed
EP-0119427-A2 Coating powder of saponified ethylene/vinyl acetate copolymers, and their use BAYER AG (DE) 1984-09-26 EP disclosed