SCHEMBL480132

SCHEMBL480132

COc1cccc(B(O)OF)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.67
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CYP3A4 P08684 1/20 0.42
CA4 P22748 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PARP1 P09874 1/20 0.41
RELA Q04206 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40

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
SCHEMBL28041771 0.81 ENPP2 (0.67) ENPP2PRSS1PRSS2PRSS3CA1
SCHEMBL27951222 0.81 ENPP2 (0.67) ENPP2PRSS1PRSS2PRSS3CA1
SCHEMBL5665659 0.81 ENPP2 (0.67) ENPP2PRSS1PRSS2PRSS3CA1
SCHEMBL28329900 0.81 ENPP2 (0.67) ENPP2PRSS1PRSS2PRSS3CA1
SCHEMBL5140 0.80 ENPP2 (1.00) ENPP2PRSS1PRSS2PRSS3CA1
SCHEMBL7344145 0.80 ENPP2 (1.00) ENPP2PRSS1PRSS2PRSS3CA1
SCHEMBL6522357 0.80 CA1 (0.61) ENPP2PRSS1PRSS2PRSS3CA1
SCHEMBL7344156 0.80 ENPP2 (0.65) ENPP2PRSS1PRSS2PRSS3CA1
SCHEMBL12524808 0.79 ENPP2 (0.74) ENPP2PRSS1PRSS2PRSS3CA1
Methyl Alcohol SCHEMBL28712606 0.79 ENPP2 (0.96) ENPP2PRSS1PRSS2PRSS3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204498-A A method of it efficiently synthesizes and dislikes La Geli intermediate 奥锐特药业股份有限公司 2019-09-06 CN claimed
CN-109415319-A Synthesizing aryl carboxylate is coupled by direct Su Chuji 美国陶氏益农公司 2019-03-01 CN claimed
CN-103827124-B Method and system for forming boric acid class and its intermediate 陶氏益农公司 2017-06-06 CN claimed
CN-103814034-B Method for separating 4-chloro-2-fluoro-3-substituted-phenylboronic acid 陶氏益农公司 2017-02-15 CN claimed
CN-103864750-A Derivative of N-biphenyl dichloroacetamide as well as preparation method and applications thereof UNIV TSINGHUA 2014-06-18 CN claimed
CN-110498771-A A method of preparing the intermediate for disliking La Geli SHANGHAI INST PHARMACEUTICAL IND 2019-11-26 CN disclosed
CN-110498770-A A method of it prepares and dislikes La Geli intermediate SHANGHAI INST PHARMACEUTICAL IND 2019-11-26 CN disclosed
CN-110437159-A The preparation method of antagonists of gonadotropin-releasing hormone intermediate and antagonist sodium LIVZON NEW NORTH RIVER PHARMACEUTICAL CO LTD 2019-11-12 CN disclosed
CN-110204498-A A method of it efficiently synthesizes and dislikes La Geli intermediate 奥锐特药业股份有限公司 2019-09-06 CN disclosed
CN-106536508-B For treat Alzheimer disease have the active compound of cholinergic muscarinic M1 receptor positive allosteric regulator 武田药品工业株式会社 2019-08-09 CN disclosed
CN-110092774-A Fragrant propionic acid analog derivative, and its preparation method and application 中国科学院上海药物研究所 2019-08-06 CN disclosed
CN-110066236-A 1H- azole derivatives, preparation method, pharmaceutical composition and application 上海迪诺医药科技有限公司 2019-07-30 CN disclosed
CN-102786480-A 2-substituted-6-amino-5-alkyl, alkenyl or alkynyl-4-pyrimidinecarboxylic acids and 6-substituted-4-amino-3- alkyl, alkenyl or alkynyl picolinic acids and their use as herbicides DOW AGROSCIENCES LLC 2012-11-21 CN disclosed
CN-102395568-A Pyrimidine derivatives and their use as herbicides SYNGENTA LTD 2012-03-28 CN disclosed
CN-102356068-A 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN LA ROCHE 2012-02-15 CN disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
CN-102083835-A Bridged, bicyclic heterocyclic or spiro bicyclic heterocyclic derivatives of pyrazolo[1,5-A]pyrimidines, methods for preparation and uses thereof WYETH CORP 2011-06-01 CN disclosed
WO-2011002408-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
CN-101675053-A Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2010-03-17 CN disclosed