Toluene

Toluene

SCHEMBL27324786

CCC(=O)OC.Cc1ccccc1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
GAA P10253 1/20 0.46
ELANE P08246 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKT1 P31749 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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 SCHEMBL27742042 0.87 LMNA (0.50) POLBNPC1RAB9AMEN1KMT2A
Biphenyl SCHEMBL11806686 0.85 SMN1; SMN2 (0.53) POLBNPC1RAB9AMEN1KMT2A
Benzene SCHEMBL27929884 0.84 TSHR (0.50) POLBKMT2ALMNATSHRGAA
Toluene SCHEMBL27823032 0.84 ALDH1A1 (0.47) POLBNPC1RAB9AMEN1KMT2A
Phenol SCHEMBL7218267 0.83 ESRRB (0.50) POLBLMNATSHRGAAELANE
Ethyl Propionate SCHEMBL27658259 0.83 MEN1 (0.52) NPC1MEN1KMT2ALMNATSHR
Toluene SCHEMBL11859149 0.82 TSHR (0.60) POLBNPC1RAB9AMEN1KMT2A
Toluene SCHEMBL14786256 0.82 MGAM (0.60) POLBNPC1RAB9AMEN1KMT2A
Aniline SCHEMBL28348599 0.82 POLB (0.46) POLBLMNATSHRGAAELANE
Bromobenzene SCHEMBL27324784 0.82 HPGD (0.46) POLBMEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1232884-C Photoresisting agent composition SHIPLEY INC (US) 2005-12-21 CN claimed
CN-1428653-A Photoresisting agent composition SHIPLEY INC (US) 2003-07-09 CN claimed
CN-108264499-A A kind of preparation method of benzodiazepine * derivatives 江苏恒瑞医药股份有限公司 2018-07-10 CN disclosed
CN-105112460-A Method for producing (S)-4-methylbenzene methyl propionate from cells UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-02 CN disclosed
CN-102675092-B Method for preparing 2-aryl-2,2-dimethyl methyl acetate JIANGSU ZHONGDAN PHARMACEUTICAL RES CO LTD 2014-11-05 CN disclosed
CN-102675092-A Method for preparing 2-aryl-2,2-dimethyl methyl acetate JIANGSU ZHONGDAN PHARMACEUTICAL RES CO LTD 2012-09-19 CN disclosed
CN-101189226-A Piperidin-4-yl-amide derivatives and their use as SST receptor subtype 5 antagonists HOFFMANN LA ROCHE (CH) 2008-05-28 CN disclosed
CN-1835917-A Therapeutic agents ASTRAZENECA AB (SE) 2006-09-20 CN disclosed
CN-1232884-C Photoresisting agent composition SHIPLEY INC (US) 2005-12-21 CN disclosed
CN-1428653-A Photoresisting agent composition SHIPLEY INC (US) 2003-07-09 CN disclosed
CN-1028529-C Process for preparing endophenylene oxabicycloheptyl substituted prostaglandin analogs SQUIBB & SONS INC (US) 1995-05-24 CN disclosed
CN-1046163-A The heterocycleamide prostanoid analogue that is used for the treatment of the interior phenylene 7-oxabicyclo heptyl replacement of thrombosis and vasospasm disease SQUIBB & SONS INC (US) 1990-10-17 CN disclosed