SCHEMBL474016

SCHEMBL474016

O=C(CCl)c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.64
ALDH1A1 P00352 4/20 0.60
HIF1A Q16665 2/20 0.60
TRPA1 O75762 1/20 0.60
MAPK1 P28482 1/20 0.60
HDAC1 Q13547 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
TP53 P04637 1/20 0.52
CA1 P00915 2/20 0.50

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
Ethylene SCHEMBL27986955 0.96 GSK3B (0.59) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL10144854 0.94 HAO1 (0.59) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL11480265 0.87 GSK3B (0.80) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL9789872 0.84 GSK3B (0.67) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL1980328 0.82 GSK3B (0.59) GSK3BALDH1A1HDAC1HDAC8HDAC3
SCHEMBL10886301 0.80 GSK3B (0.70) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL241664 0.80 GSK3B (0.70) GSK3BALDH1A1HDAC1HDAC8HDAC3
SCHEMBL1305020 0.80 GSK3B (0.70) GSK3BMAPK1HDAC1HDAC8HDAC3
SCHEMBL2479753 0.80 PTPN1 (0.49) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL1502426 0.79 HDAC1 (0.61) GSK3BHDAC1HDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698394-B Propiconazole hapten as well as preparation method and application thereof 南京农业大学 2023-12-15 CN claimed
CN-113698394-A Propiconazole hapten as well as preparation method and application thereof 南京农业大学 2021-11-26 CN claimed
CN-110256343-A Chloro- 4- bromo-isoquinoline derivative of 3,5- bis- and its preparation method and application 苏州芝宇生物科技有限公司 2019-09-20 CN claimed
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
CN-114380675-B Method for synthesizing aryl phenol by reacting halogenated aromatic hydrocarbon and phenol compound under induction of visible light 苏州大学 2024-06-11 CN disclosed
CN-113698394-B Propiconazole hapten as well as preparation method and application thereof 南京农业大学 2023-12-15 CN disclosed
WO-2023142460-A1 METHOD FOR SYNTHESIZING ARYL PHENOL BY MEANS OF REACTION BETWEEN ARYL HALIDE AND PHENOL COMPOUND UNDER INDUCTION OF VISIBLE LIGHT 苏州大学 2023-08-03 WO disclosed
CN-114539040-B Method for synthesizing alpha-halogenated ketone compound by photocatalysis 苏州大学张家港工业技术研究院 2023-06-23 CN disclosed
CN-116023202-A Synthetic method of alpha-chlorarone derivative 西南大学 2023-04-28 CN disclosed
CN-115368196-A Selective method for preparing alpha-halogenated aryl ketone by titanium silicalite molecular sieve catalysis 南京工业大学 2022-11-22 CN disclosed
CN-114539040-A Method for synthesizing alpha-haloketone compound by photocatalysis 苏州大学张家港工业技术研究院 2022-05-27 CN disclosed
US-4443612-A REACTION OF A HALOKETONE WITH IMIDAZOLE AND HYDROXYLAMINE SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-04-17 US disclosed
US-4255336-A Process for the preparation of O-substituted derivatives of (+)-cyanidan-3-01 CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
EP-0020970-A1 Alpha-chloroacetophenonoxime ethers and process for their preparation BASF Aktiengesellschaft (DE) 1981-01-07 EP disclosed
US-4054719-A ACRYLIC ESTER, TERTIARY AMINE AMERICAN CYANAMID COMPANY (US) 1977-10-18 US disclosed
US-4051261-A HYPOLIPIDEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1977-09-27 US disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 US disclosed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 US disclosed
US-3974209-A WATER TREATMENT, COMPLEX METAL IONS MONSANTO COMPANY (US) 1976-08-10 US disclosed
US-3953525-A α-Substituted-4-(2,2-dimethyl-1-hydroxypropyl)benzyl alcohols and esters SANDOZ, INC. (US) 1976-04-27 US disclosed