SCHEMBL62806

SCHEMBL62806

O=c1o[c]cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
MITF O75030 1/20 0.36
PAX8 Q06710 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ELANE P08246 4/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 2/20 0.33
PARP1 P09874 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6235288 0.72 NPC1 (0.40) MITFTDP1ALDH1A1HSD17B10ELANE
SCHEMBL2517288 0.70 ALDH1A1 (0.46) PAX8TDP1L3MBTL1ALDH1A1CYP2A6
SCHEMBL28548156 0.69 CYP1A2 (0.44) TDP1ALDH1A1CYP2A6HSD17B10ELANE
SCHEMBL5080818 0.67
SCHEMBL2544 0.67
SCHEMBL207427 0.65 MAOA (0.47) TDP1ALDH1A1HSD17B10MAOAMAOB
SCHEMBL2518542 0.64 ALDH1A1 (0.50) PAX8TDP1L3MBTL1ALDH1A1CYP2A6
SCHEMBL3680624 0.64 ALDH1A1 (0.34) TDP1ALDH1A1CYP2A6TSHRHSD17B10
Isocoumarin SCHEMBL31031794 0.64 PTGES (0.47) PTGESMITFPAX8TDP1L3MBTL1
Isocoumarin SCHEMBL76183 0.64 PTGES (0.47) PTGESMITFPAX8TDP1L3MBTL1

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

Appears in 2885 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069523-B Mannan-oligosaccharide compound and application thereof as anti-RNA virus drug 扬州蓝色生物医药科技有限公司 2022-05-06 CN claimed
CN-106795174-B Antiviral active diazacyclospirodiketopiperazine alkaloid derivative and preparation method thereof 扬州蓝色生物医药科技有限公司 2020-04-28 CN claimed
US-10238680-B2 D-amino acid phosphoramidate pronucleotides of halogeno pyrimidine compounds for liver disease IDENIX PHARMACEUTICALS LLC (US) 2019-03-26 US claimed
EP-2852605-B1 3',5'-CYCLIC PHOSPHATE PRODRUGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-01-31 EP claimed
US-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2016-09-29 US claimed
US-20160082030-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE UNIVERSITE DE MONTPELLIER (FR) 2016-03-24 US claimed
WO-2015077360-A2 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-05-28 WO claimed
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP claimed
CN-104356006-A Benzyl amines, a process for their production and their use as anti-inflammtory agents Bayer Pharma AG 2015-02-18 CN claimed
US-20150037282-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS, INC. 2015-02-05 US claimed
WO-2002002505-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2002002520-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
EP-1133487-A1 SCAVENGER COMPOUNDS YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-09-19 EP claimed
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP claimed
WO-2000031060-A1 SCAVENGER COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2000-06-02 WO claimed
US-5939437-A AMIDE COMPOUNDS AS NEUROPEPTIDES AS APPETITE REGULATORS, ANXIOLYTIC ACTIVITY AND ANTICARCINOGENIC AGENTS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-17 US claimed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US claimed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US claimed
EP-0289430-B1 SWEETENERS DERIVED FROM GUANIDINOACETIC AND ETHANAMIDINOACETIC ACIDS, THEIR USES AND COMPOSITIONS CONTAINING THESE SWEETENERS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1992-04-08 EP claimed
CN-88100129-A The preparation method of sweeting agent guanidoacetic acid and ethanamidine guanidine-acetic acid derivative and the prescription that contains this class sweeting agent 1988-07-27 CN claimed