Benzene

Benzene

SCHEMBL27487178

NC(=O)C1CCCCO1.c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.48
HPGD P15428 3/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
FASN P49327 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
SLC6A3 Q01959 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
SCHEMBL546913 0.96
SCHEMBL18474377 0.96
SCHEMBL4492294 0.96
Hydrochloric Acid SCHEMBL5418246 0.93 NOS2 (0.50) NOS2HPGDCYP2C9GAAALDH1A1
Phosphine SCHEMBL27998527 0.93 NOS2 (0.50) NOS2HPGDCYP2C9GAAALDH1A1
Ammonia Solution, Strong SCHEMBL27413104 0.93 NOS2 (0.50) NOS2HPGDCYP2C9GAAALDH1A1
Methane SCHEMBL27493565 0.93 NOS2 (0.50) NOS2HPGDCYP2C9GAAALDH1A1
SCHEMBL840224 0.93 NOS2 (0.50) NOS2HPGDCYP2C9GAAALDH1A1
Ethane SCHEMBL27994756 0.91 NOS2 (0.48) NOS2HPGDCYP2C9GAAALDH1A1
Ammonia Solution, Strong SCHEMBL28838077 0.91 NOS2 (0.48) NOS2HPGDCYP2C9GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047157-A The method of one-step synthesis 2- amino benzoxazoles heterocyclic compounds 江苏欣诺科催化剂有限公司 2018-05-18 CN claimed
CN-108047177-A The method of one-step synthesis benzofurans β-dehydrogenation alpha-non-natural amino acid 江苏欣诺科催化剂有限公司 2018-05-18 CN claimed
CN-107973768-A The method of one-step synthesis coumarin kind compound 江苏欣诺科催化剂有限公司 2018-05-01 CN claimed
CN-101330831-A Bactericidal composition comprising carboxylic acid amide derivative ISHIHARA SANGYO KAISHA (JP) 2008-12-24 CN claimed
CN-1247025-A Fungicide mixture AMERICAN CYANAMID CO (US) 2000-03-15 CN claimed
CN-110495454-A A kind of bactericidal composition JIANGSU LIONCHEM CO LTD 2019-11-26 CN disclosed
CN-110495455-A A kind of bactericidal composition JIANGSU LIONCHEM CO LTD 2019-11-26 CN disclosed
CN-110256560-A Site-specific antibody-drug conjugation by glycoengineering 建新公司 2019-09-20 CN disclosed
CN-105228645-B Site-specific antibody-drug conjugation by glycoengineering 建新公司 2019-06-07 CN disclosed
CN-109452301-A A kind of ternary weeding composition containing proxazuron-methyl 安徽省农业科学院植物保护与农产品质量安全研究所 2019-03-12 CN disclosed
CN-109418270-A A kind of bactericidal composition of fluorine-containing phenylate amide 浙江省化工研究院有限公司 2019-03-05 CN disclosed
CN-105746519-B A kind of composition pesticide containing fenoxanil and lentinan 山东沃森利源生物科技有限责任公司 2019-02-01 CN disclosed
CN-102258021-A Beflubutamid-containing weeding composition 2011-11-30 CN disclosed
CN-100491341-C Separating and purifying method for N-methyl-2-(4-phenoxy phenoxy)-2-chloroacetamide SHANGHAI APPLIED TECHNOLOGY CO (CN) 2009-05-27 CN disclosed
CN-101391968-A N-ethyl-2-(4-chlorophenoxy) acetamide and preparation method thereof SHANGHAI INST TECHNOLOGY (CN) 2009-03-25 CN disclosed
CN-101391969-A Method for preparing N-methyl-2-(2,4-dichlorophenoxy) acetamide SHANGHAI INST TECHNOLOGY (CN) 2009-03-25 CN disclosed
CN-1844088-A N-methyl-2-(4-phenoxy)-2-chloracetamide and its preparing process SHANGHAI INST TECHNOLOGY (CN) 2006-10-11 CN disclosed
CN-1821218-A Separating and purifying method for N-methyl-2-(4-phenoxy phenoxy)-2-chloroacetamide SHANGHAI APPLIED TECHNOLOGY CO (CN) 2006-08-23 CN disclosed
CN-1163143-C Fungicide mixture 2004-08-25 CN disclosed
CN-1247025-A Fungicide mixture AMERICAN CYANAMID CO (US) 2000-03-15 CN disclosed