Chlorobenzene

Chlorobenzene

SCHEMBL11754331

CCC(C)=O.Clc1ccccc1

nearest known ligand 0.52

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD11B1 P28845 2/20 0.39
NR4A1 P22736 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 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
Chlorobenzene SCHEMBL27460518 0.88 TSHR (0.55) TSHRTDP1CES2CES1L3MBTL1
Chlorobenzene SCHEMBL6906848 0.88 TSHR (0.55) TSHRTDP1CES2CES1L3MBTL1
1,4-Dichlorobenzene SCHEMBL27864019 0.87 ALDH1A1 (0.56) TSHRALDH1A1TDP1CES2CES1
Chlorobenzene SCHEMBL27545797 0.86 TSHR (0.52) TSHRALDH1A1TDP1CES2CES1
Chlorobenzene SCHEMBL27453116 0.86 TSHR (0.52) TSHRALDH1A1TDP1CES2CES1
Chlorobenzene SCHEMBL27685704 0.86 TSHR (0.52) TSHRALDH1A1TDP1CES2CES1
Chlorobenzene SCHEMBL28177257 0.86 TSHR (0.52) TSHRALDH1A1TDP1CES2CES1
Chlorobenzene SCHEMBL2830970 0.85 TSHR (0.65) TSHRALDH1A1CES2CES1L3MBTL1
Chlorobenzene SCHEMBL4166598 0.85 TSHR (0.65) TSHRALDH1A1CES2CES1L3MBTL1
Chlorobenzene SCHEMBL27741176 0.85 TSHR (0.65) TSHRALDH1A1CES2CES1L3MBTL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115505167-A Cosolvent system, preparation method thereof and method for separating holocellulose 武汉轻工大学 2022-12-23 CN disclosed
CN-110988215-B Method for detecting related substances in ebastine 湖南九典制药股份有限公司 2022-05-17 CN disclosed
CN-112439410-A Catalyst for synthesizing aromatic ketone and method for catalytically synthesizing aromatic ketone by using same 长沙新宇高分子科技有限公司 2021-03-05 CN disclosed
CN-110988215-A Method for detecting related substances in ebastine 湖南九典制药股份有限公司 2020-04-10 CN disclosed
CN-108721283-A Application of the thiazole in treating non-lymphocytic leukemia 华东理工大学 2018-11-02 CN disclosed
CN-102432546-B Pyridazinone compound and synthesis method thereof UNIV SHANGHAI ENG SCIENCE 2014-04-09 CN disclosed
CN-103360272-A Quaternary ammonium salt preparation method and application thereof BEIJING INSIGHT HIGH TECHNOLOGY CO LTD 2013-10-23 CN disclosed
CN-102803193-A Process For Preparation Of Norbornene Derivatives NIPPON OIL CORP 2012-11-28 CN disclosed
CN-102432546-A Pyridazinone compound and synthetic method thereof UNIV SHANGHAI ENG SCIENCE 2012-05-02 CN disclosed
US-4053445-A SOLUTIONS OF ETHYLENE-CHLOROTRIFLUOROETHYLENE COPOLYMERS ALLIED CHEMICAL CORPORATION (US) 1977-10-11 US disclosed