SCHEMBL198168

SCHEMBL198168

CC(=O)Oc1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.57
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ESR1 P03372 1/20 0.57
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
HMGB1 P09429 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
GGT1 P19440 1/20 0.57
PTGS1 P23219 1/20 0.57
BLM P54132 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 1/20 0.49
PTK2B Q14289 1/20 0.49

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
SCHEMBL29816549 1.00 PTGS2 (0.57) PTGS2KDM4EHSD17B10TDP1ALDH1A1
SCHEMBL3363649 0.98 PTGS2 (0.55) PTGS2KDM4EHSD17B10TDP1ALDH1A1
Hydrochloric Acid SCHEMBL27807985 0.98 PTGS2 (0.55) PTGS2KDM4EHSD17B10TDP1ALDH1A1
Nitrogen SCHEMBL27921682 0.96 PTGS2 (0.53) PTGS2KDM4EHSD17B10TDP1ALDH1A1
Acetic Acid SCHEMBL27757829 0.96 PTGS2 (0.58) PTGS2KDM4EHSD17B10TDP1ALDH1A1
SCHEMBL27616771 0.89 PTGS2 (0.47) PTGS2KDM4EHSD17B10TDP1ALDH1A1
Cadaverine Tartrate SCHEMBL15921420 0.88 PTGS2 (0.50) PTGS2KDM4EHSD17B10TDP1ALDH1A1
SCHEMBL29432883 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10TDP1ALDH1A1
SCHEMBL338196 0.84 PTGS2 (0.68) PTGS2KDM4EHSD17B10TDP1ALDH1A1
SCHEMBL6691258 0.83 MAPK1 (0.49) PTGS2KDM4EHSD17B10TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116033897-A Phenol derivatives 住友制药株式会社 2023-04-28 CN claimed
CN-111606923-B Synthesis method of racemic clopidogrel 武汉理工大学 2021-08-24 CN claimed
CN-111606923-A Synthesis method of racemic clopidogrel 武汉理工大学 2020-09-01 CN claimed
CN-111170971-A Method for synthesizing benzofuranone by taking o-chlorotoluene as raw material 安徽中羰碳一工业技术有限责任公司 2020-05-19 CN claimed
CN-110627627-A Preparation method of 1- (1-chlorocyclopropyl) -2- (2-chlorphenyl) ethanone and intermediate thereof 江苏澄扬作物科技有限公司 2019-12-31 CN claimed
CN-110455879-A A kind of 2- chlorine carboxyester hydrolysis generates the quantitative detecting method of 2- chlorine carboxylate HUNAN SUBO BIOTECHNOLOGY CO LTD 2019-11-15 CN claimed
CN-110156619-A A kind of preparation method of Diclofenac 郸城县盛斐生物科技有限公司 2019-08-23 CN claimed
CN-106336388-B The synthetic method of benzofuran -2- (3H) -one 重庆紫光国际化工有限责任公司 2019-07-05 CN claimed
CN-109775874-A A kind of production equipment of macromolecule single hole aerator 徐州硕润电子科技有限公司 2019-05-21 CN claimed
CN-109678825-A A kind of synthetic method of Methoxvbenzofuran ketone 安徽广信农化股份有限公司 2019-04-26 CN claimed
CN-100415714-C Preparing process of 5-propionyl-2-thiophenyl phenylacetate CHANGZHOU KANGRUI CHEMICAL CO (CN) 2008-09-03 CN claimed
CN-101033207-A Method of preparing 2-thiophenyl-5-propionyl phenyl acetic acid NINGBO ZHIHUA CHEMISTRY CO LTD (CN) 2007-09-12 CN claimed
CN-1325223-C Soldering flux in use for iron weldment LI RONG (CN) 2007-07-11 CN claimed
CN-1986528-A Preparing process of 5-propionyl-2-thiophenyl phenylacetate KANGRUI CHEMICAL CO LTD CHANGZ (CN) 2007-06-27 CN claimed
CN-1986542-A Preparing process of 2-(10-oxy-10,11-dihydrodibenz [b,f]-thiotropilium-2-yl) propionic acid KANGRUI CHEMICAL CO LTD CHANGZ (CN) 2007-06-27 CN claimed
CN-1539592-A Soldering flux in use for iron weldment 李 荣 2004-10-27 CN claimed
US-5730996-A Intercalates and expoliates formed with organic pesticide compounds and compositions containing the same AMCOL INTERNATIONAL CORPORATION (US) 1998-03-24 US claimed
EP-0299973-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1989-01-25 EP claimed
WO-1987006133-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-10-22 WO claimed
US-4212989-A ARYL ESTER SOLVENTS USED IN CATALYTIC CARBONYLATION FO ALCOHOLS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1980-07-15 US claimed