SCHEMBL612174

SCHEMBL612174

CCOC(=O)C1COc2ccccc2O1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
GAA P10253 2/20 0.63
L3MBTL1 Q9Y468 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
LMNA P02545 2/20 0.58
NPC1 O15118 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.55
RAB9A P51151 2/20 0.55
ATM Q13315 1/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL8102249 0.88 GAA (0.67) TSHRGAAL3MBTL1NPSR1LMNA
SCHEMBL5336971 0.85 POLB (0.59) TSHRGAAL3MBTL1NPSR1LMNA
SCHEMBL11884577 0.84 GAA (0.63) TSHRGAAL3MBTL1NPSR1LMNA
SCHEMBL11454486 0.84 L3MBTL1 (0.47) TSHRGAAL3MBTL1NPSR1LMNA
SCHEMBL11446908 0.84 L3MBTL1 (0.47) TSHRGAAL3MBTL1NPSR1LMNA
SCHEMBL1519333 0.84 CYP4F2 (0.50) TSHRGAAL3MBTL1NPSR1LMNA
SCHEMBL1519271 0.84 CYP4F2 (0.50) TSHRGAAL3MBTL1NPSR1LMNA
SCHEMBL11465271 0.83 CYP4F2 (0.49) TSHRGAAL3MBTL1NPSR1LMNA
SCHEMBL30606872 0.82 NPC1 (0.62) TSHRGAAL3MBTL1NPSR1NPC1
SCHEMBL30606873 0.82 NPC1 (0.62) TSHRGAAL3MBTL1NPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003064408-A1 “PROCESS FOR THE PREPARATION OF ETHYL 2, 3-DIHYDROBENZO[1,4]DIOXIN-2-CARBOXYLATE” COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-08-07 WO claimed
US-6555695-B1 Reacting catechol with a base in a hydrocarbon solvent; refluxing to dehydrate; adding polyethylene glycol as a phase transfer catalyst, 2,3-dibromopropionate, and an antifoam agent; intermediate for hypotensive agent, Doxazoxin COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-04-29 US claimed
WO-2023146244-A1 BENZODIOXANE DERIVATIVE COMPOUNDS AND MEDICAL USE THEREOF 재단법인 한국파스퇴르연구소 2023-08-03 WO disclosed
EP-2421857-B1 PROCESS FOR THE PREPARATION OF DOXAZOSIN AND SALTS THEREOF CIPLA LTD (IN) 2013-08-28 EP disclosed
EP-2421857-B1 PROCESS FOR THE PREPARATION OF DOXAZOSIN AND SALTS THEREOF CIPLA LTD (IN) 2013-08-28 EP disclosed
CN-102127052-B Method for synthesizing 1,4-benzdioxan-2-carboxylic acid UNIV ZHEJIANG 2013-05-01 CN disclosed
CN-102127052-B Method for synthesizing 1,4-benzdioxan-2-carboxylic acid UNIV ZHEJIANG 2013-05-01 CN disclosed
US-8426590-B2 Process for the preparation of doxazosin and salts thereof CIPLA LIMITED (IN) 2013-04-23 US disclosed
US-8426590-B2 Process for the preparation of doxazosin and salts thereof CIPLA LIMITED (IN) 2013-04-23 US disclosed
US-8426590-B2 Process for the preparation of doxazosin and salts thereof CIPLA LIMITED (IN) 2013-04-23 US disclosed
EP-2421857-A2 Process for the preparation of doxazosin and salts thereof CIPLA LIMITED (IN) 2012-02-29 EP disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
EP-0833937-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS Seprachem, Inc. (US) 1998-04-08 EP disclosed
WO-1996040976-A1 OPTICAL RESOLUTION OF ALKYL 1,4-BENZODIOXAN-2-CARBOXYLATES USING ESTERASE FROM SERRATIA MARCESCENS SEPRACHEM, INC. (US) 1996-12-19 WO disclosed
US-5529929-A USING AQUEOUS SOLUTION OF MICROBIAL ESTERASE SEPRACHEM, INC. (US) 1996-06-25 US disclosed
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
WO-1981003172-A1 NOVEL BENZO(1,4)DIOXINS,METHODS FOR THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS CERM CENT EUROP RECH MAUVERNAY (FR) 1981-11-12 WO disclosed
US-4208424-A Lipogenesis inhibition by certain esters of substituted benzodioxincarboxylic acids SHELL OIL COMPANY (US) 1980-06-17 US disclosed
US-4118507-A Benzodioxincarboxamide lipogenesis inhibitors SHELL OIL COMPANY (US) 1978-10-03 US disclosed