SCHEMBL1673734

SCHEMBL1673734

O=CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
CES2 O00748 3/20 0.56
CES1 P23141 3/20 0.56
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 3/20 0.53
CYP1A2 P05177 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CYP1B1 Q16678 1/20 0.52
MAOB P27338 3/20 0.50
CXCL12 P48061 1/20 0.50
MAOA P21397 1/20 0.48
SRD5A2 P31213 1/20 0.48
GSK3B P49841 1/20 0.48

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
Water SCHEMBL10353718 0.98 MAPK1 (0.56) MAPK1ALDH1A1TDP1CES2CES1
SCHEMBL2864636 0.93 MAPK1 (0.52) MAPK1ALDH1A1TDP1CES2CES1
SCHEMBL6763909 0.89 MAOB (0.61) MAPK1ALDH1A1TDP1CYP1A2CYP1B1
SCHEMBL222221 0.87 ALDH1A1 (0.74) MAPK1ALDH1A1TDP1TSHRMAPT
Water SCHEMBL11592745 0.84 ALDH1A1 (0.70) MAPK1ALDH1A1TDP1TSHRMAPT
Water SCHEMBL11592742 0.84 ALDH1A1 (0.70) MAPK1ALDH1A1TDP1TSHRMAPT
SCHEMBL6998661 0.82 MAPT (0.67) MAPK1ALDH1A1TDP1CES2CES1
SCHEMBL6998663 0.82 MAPT (0.67) MAPK1ALDH1A1TDP1CES2CES1
SCHEMBL10880349 0.82 MAOB (0.45) MAPK1ALDH1A1TDP1CYP1B1MAOB
Xenygloxal SCHEMBL2110325 0.79 ALDH1A1 (0.64) MAPK1ALDH1A1TDP1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894870-B Polymer and polymer nanoparticle of benzobisquinoxaline receptor for photothermal therapy, and preparation and application thereof 华南理工大学 2024-06-25 CN claimed
CN-115894870-A Polymer and polymer nanoparticle of benzo-bis-quinoxaline receptor for photothermal therapy, and preparation and application thereof 华南理工大学 2023-04-04 CN claimed
CN-110724047-B Method for preparing aromatic carboxylic acid compound 中国科学院大连化学物理研究所 2020-10-30 CN claimed
CN-110724047-A Method for preparing aromatic carboxylic acid compound 中国科学院大连化学物理研究所 2020-01-24 CN claimed
US-4243637-A SOLVENT EXTRACTION, SULFONIC ESTERS OCCIDENTAL PETROLEUM COMPANY (US) 1981-01-06 US claimed
CN-115894870-B Polymer and polymer nanoparticle of benzobisquinoxaline receptor for photothermal therapy, and preparation and application thereof 华南理工大学 2024-06-25 CN disclosed
CN-115521196-B Method for preparing alpha-hydroxy ketone compound by using water as hydrogen source 云南民族大学 2024-03-29 CN disclosed
CN-115504946-B Method for synthesizing alpha-ketoamide compound 武汉工程大学 2023-12-15 CN disclosed
CN-116178140-A Process for preparing co-production aromatic acyl chloride and co-production aromatic ketone product by taking same as raw material 宜都市友源实业有限公司 2023-05-30 CN disclosed
CN-115894870-A Polymer and polymer nanoparticle of benzo-bis-quinoxaline receptor for photothermal therapy, and preparation and application thereof 华南理工大学 2023-04-04 CN disclosed
CN-112174841-B Production method of p-chlorophenylglycine 唐山晋广化工有限公司 2023-02-17 CN disclosed
CN-115521196-A Method for preparing alpha-hydroxy ketone compound by taking water as hydrogen source 云南民族大学 2022-12-27 CN disclosed
US-4183934-A NONALIURETIC DIURETICS ABBOTT LABORATORIES (US) 1980-01-15 US disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 EP disclosed
EP-0005600-A1 Imidazolyl and triazolyl compounds, compositions containing them and methods of using them as plant fungicidal and growth regulating agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-11-28 EP disclosed
US-4159375-A 6- AND 7-Aryl-1,2,4-triazolo[4,3-b]-1,2,4-triazines AMERICAN CYANAMID COMPANY (US) 1979-06-26 US disclosed
EP-0002331-A2 Imidazole and triazole compounds, fungicidal and plant growth regulating compositions, method of combating fungal infections in plants and method of regulating plant growth IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-13 EP disclosed
US-4134814-A Halogenated photopolymerizable adhesives UCB, SOCIETE ANONYME (BE) 1979-01-16 US disclosed
US-4134811-A Halogenated photopolymerizable compositions UCB, SOCIETE ANONYME (BE) 1979-01-16 US disclosed
US-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 US disclosed