Toluene

Toluene

SCHEMBL28097461

C=Cc1ccccc1Cl.Cc1ccccc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.46
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
GSR P00390 1/20 0.42
CHAT P28329 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
RELA Q04206 1/20 0.37
NFE2L2 Q16236 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36

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
Ethane SCHEMBL20484119 0.87 ALDH1A1 (0.90) ALDH1A1TSHRLMNAACHEGSR
SCHEMBL15848 0.87
SCHEMBL29389188 0.87
SCHEMBL678283 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNAACHEGSR
SCHEMBL10626301 0.84 ALDH1A1 (0.95) ALDH1A1TSHRLMNAACHEGSR
Hydrogen Sulfide SCHEMBL29004370 0.84 ALDH1A1 (0.95) ALDH1A1TSHRLMNAACHEGSR
SCHEMBL7049963 0.83 ALDH1A1 (0.75) ALDH1A1TSHRLMNAACHEGSR
Dimethylamine SCHEMBL453265 0.83 ALDH1A1 (0.82) ALDH1A1TSHRLMNAGSRCHAT
SCHEMBL5047647 0.81 ALDH1A1 (0.64) ALDH1A1LMNAGSRCHATTRPA1
Styrene SCHEMBL7556859 0.81 ALDH1A1 (0.78) ALDH1A1TSHRLMNAGSRCHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107511177-A The method that microwave ultrasonic wave assists multi-functional resins solid acid catalysis cellulose effectively hydrolyzing 淮阴师范学院 2017-12-26 CN claimed
CN-110405200-A A kind of yolk-eggshell structure noble metal@hollow Nano carbon balls composite material and preparation method and application UNIV SOUTH CHINA AGRICULT 2019-11-05 CN disclosed
CN-102549675-B conductive paste for screen printing DIC株式会社 2017-06-09 CN disclosed
CN-105874889-A Transparent conductive coating with metal nano-wire as substrate C3奈米有限公司 2016-08-17 CN disclosed