SCHEMBL5028104

SCHEMBL5028104

CC(O)c1ccc2c(c1)COC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
ADRB2 P07550 1/20 0.33
AKT1 P31749 1/20 0.32
TSHR P16473 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30

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
Fumaric Acid SCHEMBL30462200 0.89 ALDH1A1 (0.33)
SCHEMBL27543040 0.86 ADRB2 (0.32) ADRB2TSHR
SCHEMBL28745679 0.86 ADRB2 (0.32) ADRB2TSHR
SCHEMBL9574118 0.85 ALOX15 (0.32) ALOX15ALOX12ADRB2
SCHEMBL2012341 0.82 NFKB1 (0.41) ALOX15ADRB2TSHR
SCHEMBL2569901 0.82 ADRB2 (0.38) ADRB2
SCHEMBL7580541 0.82 BLM (0.41) ADRB2TSHR
SCHEMBL17651818 0.82 ADRB2 (0.38) ADRB2TSHRSLC5A1SLC5A2
SCHEMBL828863 0.82 ADRB2 (0.38) ADRB2
SCHEMBL7582207 0.82 BLM (0.41) ADRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283512-B Method for synthesizing vilanabro and salts thereof 博诺康源(北京)药业科技有限公司 2025-04-25 CN claimed
CN-114539077-B Synthesis method of levosalbutamol hydrochloride 南京恒道医药科技股份有限公司 2023-12-08 CN claimed
CN-116283512-A Method for synthesizing vilanabro and salts thereof 博诺康源(北京)药业科技有限公司 2023-06-23 CN claimed
CN-114539077-A Synthesis method of levalbuterol hydrochloride 南京恒道医药科技有限公司 2022-05-27 CN claimed
CN-116283512-B Method for synthesizing vilanabro and salts thereof 博诺康源(北京)药业科技有限公司 2025-04-25 CN disclosed
CN-118715200-A Process for preparing vilantrum Luo San phenylacetate 好利安科技有限公司 2024-09-27 CN disclosed
CN-114539077-B Synthesis method of levosalbutamol hydrochloride 南京恒道医药科技股份有限公司 2023-12-08 CN disclosed
CN-114539077-B Synthesis method of levosalbutamol hydrochloride 南京恒道医药科技股份有限公司 2023-12-08 CN disclosed
CN-116283512-A Method for synthesizing vilanabro and salts thereof 博诺康源(北京)药业科技有限公司 2023-06-23 CN disclosed
CN-114539077-A Synthesis method of levalbuterol hydrochloride 南京恒道医药科技有限公司 2022-05-27 CN disclosed
CN-114539077-A Synthesis method of levalbuterol hydrochloride 南京恒道医药科技有限公司 2022-05-27 CN disclosed
CN-103288793-A Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2013-09-11 CN disclosed
CN-101701006-A Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2010-05-05 CN disclosed
EP-1885684-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2008-02-13 EP disclosed
WO-2006122788-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2006-11-23 WO disclosed
CN-1732152-A Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2006-02-08 CN disclosed
EP-1554264-A2 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
CN-1585633-A Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2005-02-23 CN disclosed
WO-2004037807-A9 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2004-08-19 WO disclosed
WO-2004037807-A2 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed