Benzene

Benzene

SCHEMBL27260397

c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.52
KIF11 P52732 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.45
SLC6A2 P23975 1/20 0.45
AHR P35869 1/20 0.45
HSD17B10 Q99714 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NQO1 P15559 1/20 0.40
PAX8 Q06710 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HTR3E A5X5Y0 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
Benzene SCHEMBL28099801 0.98 HPRT1 (0.50) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL2089665 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL28077721 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL21176632 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
Chrysene SCHEMBL27616409 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL30928215 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL27740850 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
Phenanthrene SCHEMBL27372954 0.98 HPRT1 (0.54) HPRT1KIF11ALDH1A1CYP1A2LCK
SCHEMBL31490440 0.96 HPRT1 (0.52) HPRT1KIF11ALDH1A1CYP1A2LCK
Water SCHEMBL28388195 0.96 HPRT1 (0.52) HPRT1KIF11ALDH1A1CYP1A2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586398-A A kind of preparation method of butane tetracarboxylic acid dianhydride 青岛科技大学 2018-09-28 CN claimed
CN-108469366-A A kind of large-tow carbon fiber tensile property of multi-filament test sample and its method for making sample 航天材料及工艺研究所 2018-08-31 CN claimed
CN-108137609-A The cyclic compound of conditioning agent as TNF α 百时美施贵宝公司 2018-06-08 CN claimed
CN-106317381-B A kind of aqueous epoxy curing agent and preparation method thereof 佛山市高明同德化工有限公司 2018-04-06 CN claimed
CN-107641292-A A kind of composition epoxy resin for fiber winding and preparation method thereof 惠柏新材料科技(上海)股份有限公司 2018-01-30 CN claimed
CN-107141874-A A kind of amide modifications rilanit special anti-settling agent and preparation method thereof 东莞市隆海新材料科技有限公司 2017-09-08 CN claimed
CN-106857657-A A kind of industrial water treatment biocide and preparation method thereof 江苏元盛化工有限公司 2017-06-20 CN claimed
CN-103889224-B ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC医疗公司 2017-05-24 CN claimed
CN-106674874-A High-strength multifunctional composite electric control tube for sedan and preparation method of electric control tube 江阴标榜汽车部件有限公司 2017-05-17 CN claimed
CN-106609098-A Super-weather-resistance powder coating for electrostatic spraying and preparation method thereof 天长市金陵电子有限责任公司 2017-05-03 CN claimed
CN-106349651-A Anti-bacteria water-proof epoxy resin compound used by print circuit board 安徽天瞳智能科技有限公司 2017-01-25 CN claimed
CN-106317381-A Waterborne epoxy curing agent and preparing method thereof 佛山市高明同德化工有限公司 2017-01-11 CN claimed
CN-103261156-B For treating the noval chemical compound of neurodegenerative disease 鲁汶天主教大学研究开发部 2016-12-28 CN claimed
CN-106232587-A Novel disubstituted 1,2, 4-triazine compounds 田边三菱制药株式会社 2016-12-14 CN claimed
CN-105885753-A Insulation glue for lithium metal batteries and preparation method thereof 何凤英 2016-08-24 CN claimed
CN-104311793-A Photochromic ink prepolymer and preparation method thereof as well as photochromic ink JIAXING NANKAI PRINTING INK CO LTD 2015-01-28 CN claimed
CN-101247808-A N- (arylalkyl) -1H-pyrrolopyridine-2-carboxamide derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2008-08-20 CN claimed
CN-101115718-A N- (heteroaryl) -1H-indole-2-carboxamide derivatives and their use as vanilloid TRPV1 receptor ligands SANOFI AVENTIS (FR) 2008-01-30 CN claimed
CN-108699296-A Lonitrile copolymer rubber composition, bridging property rubber composition and rubber cross object 日本瑞翁株式会社 2018-10-23 CN disclosed
CN-86107292-A Novel silane derivatives, process for their preparation, formulations containing them and their use as pesticides 1987-07-29 CN disclosed