Toluene

Toluene

SCHEMBL2034748

Cc1ccccc1.OCC(O)COCC(O)CO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.49
AGTR1 P30556 1/20 0.49
TSHR P16473 3/20 0.44
ALOX12 P18054 1/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
USP2 O75604 1/20 0.40
TACR1 P25103 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 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 SCHEMBL11058611 0.85 LMNA (0.55) CYP1A2KDM4ELMNAAGTR1TSHR
Toluene SCHEMBL11701931 0.83 LMNA (0.52) CYP1A2KDM4ELMNAAGTR1TSHR
Benzene SCHEMBL502623 0.82 USP2 (0.46) CYP1A2KDM4ELMNAAGTR1TSHR
Phenol SCHEMBL27431055 0.82 CA1 (0.47) CYP1A2KDM4ELMNAAGTR1TSHR
Phenol SCHEMBL28800037 0.82 CA1 (0.47) CYP1A2KDM4ELMNAAGTR1TSHR
Chlorobenzene SCHEMBL27592309 0.80 CYP1A2 (0.44) CYP1A2KDM4ELMNAAGTR1TSHR
Benzyl Alcohol SCHEMBL28033703 0.80 TSHR (0.56) CYP1A2KDM4ELMNAAGTR1TSHR
Orthocresol SCHEMBL28388336 0.79 CYP1A2 (0.57) CYP1A2KDM4ELMNAAGTR1TSHR
SCHEMBL11285241 0.79 ACHE (0.54) CYP1A2KDM4ELMNAAGTR1TSHR
Toluene SCHEMBL28576252 0.78 LMNA (0.46) CYP1A2KDM4ELMNAAGTR1TSHR

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-3128004-A1 ENZYME AGENT Kewpie Corporation (JP) 2017-02-08 EP disclosed
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 CN disclosed
JP-2011126785-A COMPOSITION FOR ORAL CAVITY LION CORP 2011-06-30 JP disclosed
CN-101679324-A Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2010-03-24 CN disclosed
US-4340662-A PHOTOSENSITIVE FILMS ENERGY CONVERSION DEVICES, INC. (US) 1982-07-20 US disclosed
US-4281058-A A PHOTOSENSITIVE COMPLEX OF THE TELLURIUM COMPOUND AND A GLYCEROL ETHER OR THIOETHER; NONSILVER PHOTOGRAPHY ENERGY CONVERSION DEVICES, INC. (US) 1981-07-28 US disclosed