SCHEMBL28954580

SCHEMBL28954580

CCn1c(C)cc(=O)c(OCc2ccccc2)c1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 4/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
GSTP1 P09211 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.38
GLRA1 P23415 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL28954559 0.90 SMN1; SMN2 (0.41) SMN1; SMN2HTTHPGDALDH1A1MEN1
SCHEMBL28917890 0.88 SMN1; SMN2 (0.43) SMN1; SMN2HTTHPGDALDH1A1MEN1
SCHEMBL28592236 0.88 TSHR (0.44) SMN1; SMN2HTTHPGDALDH1A1MEN1
SCHEMBL28954577 0.87 SMN1; SMN2 (0.43) SMN1; SMN2HTTHPGDALDH1A1MEN1
SCHEMBL7545464 0.87 SMN1; SMN2 (0.43) SMN1; SMN2HTTHPGDALDH1A1MEN1
SCHEMBL28594191 0.87 ADRA2A (0.46) SMN1; SMN2HTTHPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL6993526 0.86 SMN1; SMN2 (0.42) SMN1; SMN2HTTHPGDALDH1A1MEN1
SCHEMBL28592239 0.86 ADRA2A (0.45) SMN1; SMN2HTTHPGDALDH1A1MEN1
SCHEMBL28590806 0.86 ADRA2A (0.45) SMN1; SMN2HTTHPGDALDH1A1MEN1
SCHEMBL28917361 0.85 HTT (0.40) SMN1; SMN2HTTHPGDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703737-B Hydroxypyridones compound and application thereof as antibiotic sensitizer for overcoming bacterial biomembrane resistance 暨南大学 2024-09-24 CN disclosed
CN-115703737-A Hydroxypyridones compounds and application thereof as antibiotic sensitizer for overcoming drug resistance of bacterial biofilm 暨南大学 2023-02-17 CN disclosed