Toluene

Toluene

SCHEMBL28036643

CCCCCCCCCCCCCCCCCCNC(N)=O.Cc1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
EPHX1 P07099 3/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
EGFR P00533 1/20 0.52
ASAH1 Q13510 1/20 0.52
HPGD P15428 1/20 0.51
ZDHHC2 Q9UIJ5 1/20 0.49
NAMPT P43490 2/20 0.49
TSHR P16473 1/20 0.47

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 SCHEMBL27615145 1.00 NAAA (0.59) NAAAL3MBTL1EPHX1HTTALDH1A1
Toluene SCHEMBL27499889 0.93 TSHR (0.54) NAAAL3MBTL1EPHX1HTTALDH1A1
Toluene SCHEMBL28076346 0.92 TSHR (0.53) NAAAL3MBTL1EPHX1HTTALDH1A1
M-Xylene SCHEMBL8398536 0.89 L3MBTL1 (0.53) NAAAL3MBTL1EPHX1HTTALDH1A1
Toluene SCHEMBL30957356 0.88 NAAA (0.65) NAAAL3MBTL1EPHX1HTTALDH1A1
Toluene SCHEMBL30957366 0.88 NAAA (0.65) NAAAL3MBTL1EPHX1HTTALDH1A1
Toluene SCHEMBL30957374 0.88 NAAA (0.65) NAAAL3MBTL1EPHX1HTTALDH1A1
Toluene SCHEMBL30957355 0.88 NAAA (0.65) NAAAL3MBTL1EPHX1HTTALDH1A1
Toluene SCHEMBL30957338 0.88 NAAA (0.65) NAAAL3MBTL1EPHX1HTTALDH1A1
Toluene SCHEMBL30957319 0.88 NAAA (0.65) NAAAL3MBTL1EPHX1HTTALDH1A1

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
CN-105143389-B Gelling agent and organogel 国立大学法人九州大学 2017-06-16 CN disclosed
CN-105143389-A Gelling agent and organogel NAT UNIV CORP KYUSHU UNIV 2015-12-09 CN disclosed