SCHEMBL6493446

SCHEMBL6493446

O=C(Cl)C(Cl)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
KEAP1 Q14145 1/20 0.47
ALOX5 P09917 1/20 0.43
GSK3B P49841 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DAO P14920 1/20 0.39
CYP2C19 P33261 1/20 0.37
HDAC1 Q13547 1/20 0.36
TSHR P16473 1/20 0.36
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL17685570 0.85 CES2 (0.48) CES2CES1KEAP1ALOX5GSK3B
SCHEMBL27493394 0.83 CES2 (0.47) CES2CES1KEAP1ALOX5GSK3B
Benzene SCHEMBL11551889 0.83 CES2 (0.47) CES2CES1KEAP1ALOX5GSK3B
SCHEMBL4574168 0.82 ALOX5 (0.46) CES2CES1KEAP1ALOX5GSK3B
SCHEMBL8853390 0.82 ALOX5 (0.50) CES2CES1KEAP1ALOX5GSK3B
SCHEMBL7723137 0.81 CES2 (0.48) CES2CES1KEAP1ALOX5GSK3B
SCHEMBL10969161 0.81 CES2 (0.48) CES2CES1KEAP1ALOX5GSK3B
SCHEMBL10821329 0.78 ALOX5 (0.46) CES2CES1KEAP1ALOX5GSK3B
SCHEMBL28131623 0.78 CES2 (0.46) CES2CES1KEAP1ALOX5GSK3B
SCHEMBL5845615 0.78 ALOX5 (0.50) CES2CES1KEAP1ALOX5GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101052459-B Composite semipermeable membrane, production process thereof, and element, fluid separation equipment and method for water treatment using the same TORAY INDUSTRIES 2012-04-04 CN claimed
CN-101052459-A Composite semipermeable membrane, production process thereof, and element, fluid separation equipment and method for water treatment using the same TORAY INDUSTRIES (JP) 2007-10-10 CN claimed
CN-110194765-A For controlling the composition and method of nematode 孟山都技术有限公司 2019-09-03 CN disclosed
CN-105418598-B For controlling the composition and method of nematode 孟山都技术有限公司 2019-05-17 CN disclosed
CN-104892672-B Chiral spiro phosphine-nitrogen-sulphur tridentate ligand and its preparation method and application 浙江九洲药业股份有限公司 2018-09-21 CN disclosed
CN-107266334-A Fluorenes based compound, the Photoepolymerizationinitiater initiater containing the fluorenes based compound and the photo-sensitive composition containing the Photoepolymerizationinitiater initiater 大东凯米克斯株式会社 2017-10-20 CN disclosed
CN-107007596-A Method for treating posttraumatic stress disorder 阿泽凡药物公司 2017-08-04 CN disclosed
CN-103269584-B Methods for treating post-traumatic stress disorder 阿泽凡药物公司 2017-05-03 CN disclosed
CN-104140421-B Benzo isothiazole compound and the application in antipsychotic drug is prepared 上海医药工业研究院 2017-04-05 CN disclosed
CN-106459021-A Compositions and methods for treating neurodegenerative diseases 阿泽范药品公司 2017-02-22 CN disclosed
CN-104922117-A BETA-LACTAMYLALKANOIC ACIDS FOR TREATING PREMENSTRUAL DISORDERS AZEVAN PHARMACEUTICALS INC 2015-09-23 CN disclosed
CN-1039908-C Tricyclic diaza * vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID CO (US) 1998-09-23 CN disclosed
CN-1184425-A 5-substituted-3- (1,2,3, 6-tetrahydropyridin-4-yl) -and 3- (piperidin-4-yl) -1H-indoles, 5-HT1FAgonists LILLY CO ELI (US) 1998-06-10 CN disclosed
CN-1023482-C Thiophen compouns and their preparation SANDOZ LTD (CH) 1994-01-12 CN disclosed
US-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO disclosed
CN-1030414-A New thiophene compound and preparation thereof SANDOZ LTD (CH) 1989-01-18 CN disclosed
EP-0044119-B1 PROCESS FOR THE PREPARATION OF COPOLYMERS OF ETHYLENE WITH AT LEAST ONE OTHER 1-ALKENE STAMICARBON B.V. (NL) 1985-05-29 EP disclosed
US-4435552-A COORDINATION CATALYST CONTAINING HALOACYL COMPOUND STAMICARBON B.V. (NL) 1984-03-06 US disclosed
EP-0044119-A2 Process for the preparation of copolymers of ethylene with at least one other 1-alkene STAMICARBON B.V. (NL) 1982-01-20 EP disclosed