SCHEMBL28400548

SCHEMBL28400548

OCC(O)C(O)C(O)C(O)COCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
ALDH1A1 P00352 6/20 0.45
POLB P06746 3/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 4/20 0.44
GAA P10253 4/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX12 P18054 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
CYP2C19 P33261 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38

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
SCHEMBL4620854 0.82 CYP2D6 (0.62) CYP2D6ALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL4620115 0.82 CYP2D6 (0.62) CYP2D6ALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL2248903 0.82 CYP2D6 (0.62) CYP2D6ALDH1A1POLBHSD17B10L3MBTL1
Mannitol SCHEMBL29234138 0.80 L3MBTL1 (0.42) CYP2D6ALDH1A1POLBHSD17B10L3MBTL1
Glycerin SCHEMBL28275650 0.78 CYP2D6 (0.54) CYP2D6ALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL29036735 0.78 ALDH1A1 (0.53) CYP2D6ALDH1A1POLBL3MBTL1LMNA
SCHEMBL28738424 0.77 TDP1 (0.43) CYP2D6ALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL27885968 0.77 CYP2D6 (0.56) CYP2D6ALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL1759589 0.77 CYP2D6 (0.56) CYP2D6ALDH1A1POLBHSD17B10L3MBTL1
SCHEMBL6423324 0.77 CYP2D6 (0.60) CYP2D6ALDH1A1POLBHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074736-B UV filter composition, method for the production thereof and use thereof 巴斯夫欧洲公司 2024-10-01 CN disclosed
CN-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN disclosed
CN-112702914-B Antimicrobial mixtures containing at least one hydroxyacetophenone derivative 西姆莱斯股份公司 2024-01-30 CN disclosed
CN-116997316-A Perfume mixture containing isochronic alcohol (Isocitronellol) 西姆莱斯股份公司 2023-11-03 CN disclosed
CN-116806825-A Antimicrobial mixture 西姆莱斯股份公司 2023-09-29 CN disclosed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN disclosed
CN-113543637-B Antimicrobial mixture 西姆莱斯股份公司 2023-07-14 CN disclosed
CN-115942870-A Composition with virucidal and/or antiviral activity 西姆莱斯股份公司 2023-04-07 CN disclosed
CN-115305215-A Novel bacterial starter of the genus lactobacillus 西姆莱斯股份公司 2022-11-08 CN disclosed
CN-108472220-B Reducing the perception of skin stinging 西姆莱斯股份公司 2022-06-17 CN disclosed
CN-113543637-A Antimicrobial mixture 西姆莱斯股份公司 2021-10-22 CN disclosed
CN-105902402-B Active mixture 西姆莱斯股份公司 2021-10-15 CN disclosed
CN-113226267-A Hair care composition 西姆莱斯股份公司 2021-08-06 CN disclosed
CN-107530273-B Compositions containing valerian extracts 库泰克有限责任公司 2021-07-09 CN disclosed
CN-105640791-B Antimicrobial compositions 西姆莱斯股份公司 2021-05-04 CN disclosed
CN-111631216-B Antimicrobial compositions 西姆莱斯股份公司 2021-03-16 CN disclosed
CN-112294853-A Sesuvium portulaca extract and application thereof 西姆莱斯股份公司 2021-02-02 CN disclosed
CN-112218611-A Wax dispersions with conditioning properties 巴斯夫欧洲公司 2021-01-12 CN disclosed
CN-111343963-A Use of physiological cooling active ingredients and compositions comprising such active ingredients 巴斯夫欧洲公司 2020-06-26 CN disclosed
CN-111032015-A New use of extract of Isochrysis galbana 西姆莱斯有限公司 2020-04-17 CN disclosed