Toluene

Toluene

SCHEMBL3662951

CCC.Cc1ccccc1.N=C=O.N=C=O

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
ALOX12 P18054 1/20 0.55
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
BCHE P06276 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
PSIP1 O75475 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.34
VCP P55072 1/20 0.34
HDAC3 O15379 1/20 0.34

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 SCHEMBL240812 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL1132376 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL28488283 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL32871 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL28853719 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL57282 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL11099704 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL7745465 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL29997697 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL29088577 0.92 ACHE (0.65) ACHELMNATSHRALOX12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121303-B1 MULTI-LAYERED FILM AND FLOCKED MATERIAL COMPRISING SUCH A FILM DIMONTONATE FLOCCATI S P A (IT) 2010-07-14 EP claimed
EP-2121303-A1 MULTI-LAYERED FILM AND FLOCKED MATERIAL COMPRISING SUCH A FILM Dimontonate Floccati S.p.A. (IT) 2009-11-25 EP claimed
WO-2008087672-A1 MULTI-LAYERED FILM AND FLOCKED MATERIAL COMPRISING SUCH A FILM DIMONTONATE FLOCCATI S.P.A. (IT) 2008-07-24 WO claimed
EP-2121303-B1 MULTI-LAYERED FILM AND FLOCKED MATERIAL COMPRISING SUCH A FILM DIMONTONATE FLOCCATI S P A (IT) 2010-07-14 EP disclosed
EP-2121303-A1 MULTI-LAYERED FILM AND FLOCKED MATERIAL COMPRISING SUCH A FILM Dimontonate Floccati S.p.A. (IT) 2009-11-25 EP disclosed
WO-2008087672-A1 MULTI-LAYERED FILM AND FLOCKED MATERIAL COMPRISING SUCH A FILM DIMONTONATE FLOCCATI S.P.A. (IT) 2008-07-24 WO disclosed