SCHEMBL29948019

SCHEMBL29948019

CC1(C)SC(CNC(=O)[C@H](N)c2ccc(O)cc2)N[C@@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
LMNA P02545 3/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
NR1I3 Q14994 1/20 0.46
RECQL P46063 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SLC15A2 Q16348 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
TEK Q02763 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
ESR1 P03372 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34

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
SCHEMBL31402733 0.78 KDM4E (0.46) KDM4ELMNARARBRARGNR1H2
SCHEMBL28840558 0.78 KDM4E (0.46) KDM4ELMNARARBRARGNR1H2
SCHEMBL30070318 0.77 KDM4E (0.45) KDM4ELMNARARBRARGNR1H2
SCHEMBL5003886 0.76 KDM4E (0.45) KDM4ELMNARARBRARGNR1H2
SCHEMBL29510233 0.75 KDM4E (0.40) KDM4ELMNARARBRARGNR1H2
SCHEMBL22372485 0.73 KDM4E (0.42) KDM4ELMNARARBRARGNR1H2
SCHEMBL29988942 0.69 KDM4E (0.42) KDM4ELMNARARBRARGNR1H2
SCHEMBL29822432 0.68 KDM4E (0.44) KDM4ELMNARARBRARGNR1H2
SCHEMBL22406042 0.68 KDM4E (0.50) KDM4ELMNARARBRARGNR1H2
SCHEMBL22406041 0.68 KDM4E (0.50) KDM4ELMNARARBRARGNR1H2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113533592-B Amoxicillin impurity positioning solution and preparation method thereof 澳美制药厂有限公司 2023-03-21 CN claimed
CN-112858519-B Detection method for related substances of amoxicillin potassium clavulanate granules 黑龙江全乐制药有限公司 2022-12-02 CN claimed
CN-118731216-A Detection method of related substances of amoxicillin and clavulanate potassium tablets 广州白云山医药集团股份有限公司白云山制药总厂 2024-10-01 CN disclosed
CN-116297889-A Detection method of related substances of amoxicillin bulk drug 山东新时代药业有限公司 2023-06-23 CN disclosed
CN-113533592-B Amoxicillin impurity positioning solution and preparation method thereof 澳美制药厂有限公司 2023-03-21 CN disclosed
CN-112858519-B Detection method for related substances of amoxicillin potassium clavulanate granules 黑龙江全乐制药有限公司 2022-12-02 CN disclosed
CN-112305117-B Chromatographic detection method for determining related substances of amoxicillin and clavulanate potassium 四川制药制剂有限公司 2022-09-09 CN disclosed