SCHEMBL28840558

SCHEMBL28840558

CC1(C)SC(C(NC(=O)C(N)c2ccc(O)cc2)C(=O)O)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
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 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
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ESR1 P03372 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36

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 1.00 KDM4E (0.46) KDM4ELMNARARBRARGNR1H2
SCHEMBL30070318 0.92 KDM4E (0.45) KDM4ELMNARARBRARGNR1H2
SCHEMBL29822432 0.91 KDM4E (0.44) KDM4ELMNARARBRARGNR1H2
SCHEMBL29988942 0.90 KDM4E (0.42) KDM4ELMNARARBRARGNR1H2
SCHEMBL29510233 0.85 KDM4E (0.40) KDM4ELMNARARBRARGNR1H2
SCHEMBL5003886 0.85 KDM4E (0.45) KDM4ELMNARARBRARGNR1H2
SCHEMBL29551693 0.83 KDM4E (0.43) KDM4ELMNARARBRARGNR1H2
SCHEMBL29947990 0.80 KDM4E (0.74) KDM4ELMNARARBRARGNR1H2
SCHEMBL29948019 0.78 KDM4E (0.46) KDM4ELMNARARBRARGNR1H2
SCHEMBL13105241 0.78 KDM4E (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed