SCHEMBL707068

SCHEMBL707068

OC(Cl)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
CYP1A2 P05177 1/20 0.50
TRPA1 O75762 2/20 0.48
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MDM2 Q00987 1/20 0.45
AKR1B1 P15121 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL27320808 1.00 EPHX1 (0.50) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL8108589 1.00 EPHX1 (0.50) EPHX1CYP1A2TRPA1ALPIPKM
Hydrochloric Acid SCHEMBL27858040 0.97 CYP1A2 (0.48) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL10701955 0.81 LMNA (0.59) CYP1A2PTGS1SLC6A2MAOASLC6A3
SCHEMBL29049059 0.80 CYP1A2 (0.46) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL252017 0.78 EPHX1 (0.55) EPHX1CYP1A2TRPA1ALPIPKM
Benzene SCHEMBL28818616 0.78 SLC6A2 (0.56) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL108646 0.78 TRPA1 (0.58) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL351699 0.78 SLC6A2 (0.56) EPHX1CYP1A2TRPA1ALPIPKM
SCHEMBL1833635 0.78 TRPA1 (0.55) EPHX1CYP1A2TRPA1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116106344-A Method for monitoring polluted soil restoration process 中国科学院生态环境研究中心 2023-05-12 CN claimed
CN-115991995-A Nanometer zero-valent iron-biochar composite material, preparation method and application 中国科学院生态环境研究中心 2023-04-21 CN claimed
CN-110872234-B Synthesis method of (1R) -2- [ [ [2- (4-nitrophenyl) ethyl ] amino ] methyl ] benzyl alcohol hydrochloride 苏州永健生物医药有限公司 2022-03-04 CN claimed
CN-110872234-A Synthesis method of (1R) -2- [ [ [2- (4-nitrophenyl) ethyl ] amino ] methyl ] benzyl alcohol hydrochloride 苏州永健生物医药有限公司 2020-03-10 CN claimed
CN-110128244-A A kind of synthetic method of pair of chlorophenethylol 安徽工大化工科技有限公司 2019-08-16 CN claimed
EP-3180340-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES INC (US) 2018-10-10 EP claimed
CN-107973765-A A kind of preparation method of 2,3- Dihydrobenzofuranes 苏州艾缇克药物化学有限公司 2018-05-01 CN claimed
CN-107814687-A A kind of synthetic method to chlorophenethylol 湖北朗昕生化药业有限公司 2018-03-20 CN claimed
EP-3180340-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES Hydra Biosciences, Inc. (US) 2017-06-21 EP claimed
US-9440972-B2 Pyrido[2,3-d]pyrimidine-2,4(1 H,3H)-dione derivatives HYDRA BIOSCIENCES, INC. (US) 2016-09-13 US claimed
CN-103923889-A Hyacinthin reductase mutant UNIV CHINA PHARMA 2014-07-16 CN claimed
CN-102517342-B Method for catalytic synthesis of R-2-bromo-1-aryl alcohol using carrot root whole cells UNIV JIANGNAN 2014-04-02 CN claimed
CN-101817840-B Silicic ester flame-retardant compound and preparation method thereof WANG YANLIN 2014-02-05 CN claimed
CN-103058824-A Synthetic method for p-chlorobenzene alcohol UNIV HANGZHOU NORMAL 2013-04-24 CN claimed
CN-102154431-A Kinetic resolution method of secondary alcohol UNIV ZHEJIANG 2011-08-17 CN claimed
CN-102127584-A Dynamic kinetic method for resolving secondary alcohol UNIV ZHEJIANG 2011-07-20 CN claimed
CN-101250090-A Synthetic method of p-chlorophenylethanol YANCHENG LVYE CHEMICAL INDUSTR (CN) 2008-08-27 CN claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-4820672-A REACTING MAGNESIUM OR ORGANOMAGNESIUM COMPOUNDS, HYDROGEN CHLORIDE, CHLOROALCOHOL, BETA-ALKYL SUBSTITUTED ALCOHOLS; POLY CAT OR SUPPORTS LITHIUM CORPORATION OF AMERICA (US) 1989-04-11 US claimed