Toluene

Toluene

SCHEMBL20027

CCO.Cc1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Toluene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.69
LMNA P02545 4/20 0.69
TSHR P16473 2/20 0.69
ALOX12 P18054 1/20 0.69
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
CYP2C19 P33261 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 SCHEMBL27342895 1.00 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL11136681 1.00 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL22729215 1.00 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL6443613 1.00 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL5199381 1.00 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL28769535 1.00 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL5198578 1.00 ACHE (0.69) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL28873544 0.97 LMNA (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL3455878 0.97 LMNA (0.65) ACHELMNATSHRALOX12MEN1
Toluene SCHEMBL28323246 0.97 LMNA (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

Appears in 3027 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010847-A Synthesis method of 1- [3, 5-bis (1-methylethyl) [1,1' -biphenyl ] -4-yl ] -2-bromo-1H-benzimidazole 安徽大学 2026-05-12 CN claimed
EP-3383352-B1 COMPOSITIONS FOR DENTAL VARNISHES AND METHODS OF MAKING AND USING SAME COLGATE PALMOLIVE CO (US) 2025-07-16 EP claimed
CN-119820927-A Preparation method of elastic comfortable composite fabric 南通和顺兴纺织集团有限公司 2025-04-15 CN claimed
CN-119775093-A Anthracene-and pyrene-containing blue light material, preparation method and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2025-04-08 CN claimed
CN-119330919-A Preparation method of 8-bromo-6-phenylnaphtho [2,1-b ] benzofuran 中钢天源股份有限公司 2025-01-21 CN claimed
CN-221397765-U Production line of liquid crystal monomer fluorine-containing propyl terphenyl butene 江苏广域化学有限公司 2024-07-23 CN claimed
CN-118271265-A Fluorescent main body material, preparation method and organic electroluminescent device comprising fluorescent main body material 吉林奥来德光电材料股份有限公司 2024-07-02 CN claimed
CN-117603172-B Main body material, preparation method thereof and organic electroluminescent device comprising main body material 吉林奥来德光电材料股份有限公司 2024-04-30 CN claimed
CN-117920146-A Ammonium sulfate production wastewater treatment agent and preparation method thereof 太仓市业洪净水新材料有限公司 2024-04-26 CN claimed
US-20240117083-A1 CHLOROPRENE POLYMER, CHLOROPRENE POLYMER LATEX, METHOD FOR PRODUCING CHLOROPRENE POLYMER LATEX, COMPOUND COMPOSITION AND VALCANIZATION MOLDED BODY DENKA COMPANY LIMITED (JP) 2024-04-11 US claimed
CN-1733930-A Ergosterol preparation method MENGYONG MEDICINE INDUSTRY COM (CN) 2006-02-15 CN claimed
US-6100399-A Synthesis for 4-aryl-5-pyrimidine imidazole substituted compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-08-08 US claimed
EP-1019393-A1 NOVEL SYNTHESIS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-19 EP claimed
EP-1019393-A4 NOVEL SYNTHESIS SMITHKLINE BEECHAM CORP (US) 2000-07-19 EP claimed
WO-1997023479-A1 NOVEL SYNTHESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-03 WO claimed
EP-0265561-B1 NOVEL CHITOSAN DERIVATIVE ITS PREPARATION AND POLYMER FILMS PRODUCED THEREFROM NOVA CHEM LIMITED (CA) 1989-04-26 EP claimed
EP-0265561-A1 Novel chitosan derivative its preparation and polymer films produced therefrom NOVA CHEM LIMITED (CA) 1988-05-04 EP claimed
US-4619995-A N,O-carboxymethyl chitosan and preparative method therefor NOVA CHEM LIMITED (CA) 1986-10-28 US claimed
US-4605581-A IMPREGNATION WITH ORGANIC METALLIC COMPOUND AND RESIN, THEN CURING GENERAL ELECTRIC COMPANY (US) 1986-08-12 US claimed
EP-0071934-B1 METHOD FOR PREPARING A COLOR STABLE CHROMOGENIC ANALYTICAL ELEMENT MILES LABORATORIES, INC. (US) 1986-06-11 EP claimed