Toluene

Toluene

SCHEMBL266608

CO.Cc1ccccc1.ClC(Cl)Cl

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.65
ACHE P22303 5/20 0.65
TSHR P16473 2/20 0.65
ALOX12 P18054 1/20 0.65
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
ACP3 P15309 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 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
Toluene SCHEMBL28125828 0.97 LMNA (0.61) LMNAACHETSHRALOX12CES2
Toluene SCHEMBL87982 0.94 ACHE (0.73) LMNAACHETSHRALOX12CES2
Toluene SCHEMBL28398458 0.94 ACHE (0.73) LMNAACHETSHRALOX12CES2
Toluene SCHEMBL27934895 0.91 ACHE (0.69) LMNAACHETSHRALOX12CES2
Toluene SCHEMBL6242293 0.91 ACHE (0.69) LMNAACHETSHRALOX12CES2
Toluene SCHEMBL10396121 0.88 ACHE (0.65) LMNAACHETSHRALOX12CES2
Toluene SCHEMBL8844853 0.88 ACHE (0.73) LMNAACHETSHRALOX12CES2
Toluene SCHEMBL9672173 0.87 ACHE (0.85) LMNAACHETSHRALOX12CES2
Toluene SCHEMBL11010267 0.87 ACHE (0.85) LMNAACHETSHRALOX12CES2
Toluene SCHEMBL352057 0.87

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101850070-B Detection method for Chinese medicament Tangcao tablets BAISUIHANG PHARMACEUTICAL CO., LTD., SHANGHAI (CN) 2012-02-01 CN claimed
CN-101361869-B Quality control method of tables for treating asthma GUANGZHOU ZHONGYI PHARMACEUTICAL CO LTD 2011-10-05 CN claimed
CN-101850070-A Quality standard and detection method for Chinese medicament Tangcao tablets SHANGHAI HUNDREDS ACE HERBAL PHARMACEUTICAL CO LTD 2010-10-06 CN claimed
CN-101361869-A Quality control method of tables for treating asthma GUANGZHOU ZHONGYI PHARMACEUTIC (CN) 2009-02-11 CN claimed
CN-101244240-A Quality control method for four turmeric soup preparations UNIV SICHUAN (CN) 2008-08-20 CN claimed
EP-0239774-B1 NEW BIOSYNTHETIC ANTHRACYCLINES RELATED TO DAUNORUBICIN FARMITALIA CARLO ERBA S.r.l. (IT) 1989-06-21 EP claimed
EP-0239774-A1 New biosynthetic anthracyclines related to daunorubicin FARMITALIA CARLO ERBA S.r.l. (IT) 1987-10-07 EP claimed
CN-106706766-B A kind of measuring method of the newly-increased detection ingredient of Chinese medicine Tang blade that treating AIDS 上海百岁行药业有限公司 2019-04-16 CN disclosed
CN-104095904-B A kind of pharmaceutical composition for treating courage relevant disease, preparation method and its usage 四川省天然药物研究所 2018-03-02 CN disclosed
CN-106706766-A Method for detecting newly increased detection components in traditional Chinese medicinal Tang Herb for treating AIDS 上海百岁行药业有限公司 2017-05-24 CN disclosed
CN-104095904-A Medical composition for treating bile related diseases, and preparation method and application thereof SICHUAN NATURAL DRUG RES INST 2014-10-15 CN disclosed
US-8133864-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2012-03-13 US disclosed
CN-101850070-B Detection method for Chinese medicament Tangcao tablets BAISUIHANG PHARMACEUTICAL CO., LTD., SHANGHAI (CN) 2012-02-01 CN disclosed
EP-0239774-A1 New biosynthetic anthracyclines related to daunorubicin FARMITALIA CARLO ERBA S.r.l. (IT) 1987-10-07 EP disclosed
EP-0189555-A1 Method of obtaining derivatives of 4-beta-(1'-alken-1'-yl)-2-xi, 5-alpha-dihydroxy-3,3a-beta, 4,5,6,6a-beta-hexahydro-2H-cyclopenta[b] furane, and sulphonyl derivatives of 2H-cyclopenta[b] furane Polska Akademia Nauk - Instytut Chemii Organicznej (PL) 1986-08-06 EP disclosed
EP-0055299-B1 ANTIBIOTIC Y-16482 ALPHA AND/OR ANTIBIOTIC Y16482 BETA, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING THE SAME Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-01-09 EP disclosed
US-4440752-A Antibiotics Y-16482 α and/or Y-16482 β, a process for production thereof, and a pharmaceutical composition containing either or both of them YOSHOTOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1984-04-03 US disclosed
US-4387218-A Anthracycline antibiotics FA-1180 B and B1, or salts thereof ISHIHARA SANGYO KAISHA, LTD. (JP) 1983-06-07 US disclosed
EP-0055299-A1 ANTIBIOTIC Y-16482 ALPHA AND/OR ANTIBIOTIC Y16482 BETA, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING THE SAME Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1982-07-07 EP disclosed
EP-0025713-A1 An anthracycline antibiotic and a pharmaceutical composition containing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1981-03-25 EP disclosed