SCHEMBL30701802

SCHEMBL30701802

COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc1F

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.75
GAA P10253 14/20 0.74
KDM4E B2RXH2 9/20 0.74
HSD17B10 Q99714 7/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
ALDH1A1 P00352 6/20 0.66
HPGD P15428 1/20 0.66
TSHR P16473 2/20 0.64
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
ALOX15 P16050 3/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 2/20 0.58
CHRNB2 P17787 1/20 0.56
CHRNA4 P43681 1/20 0.56
MITF O75030 1/20 0.54

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
SCHEMBL29106378 1.00 ALDH2 (0.75) ALDH2GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL29106415 0.91 ALDH2 (0.78) ALDH2GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL30701810 0.91 ALDH2 (0.78) ALDH2GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL29106345 0.89 ALDH2 (0.81) ALDH2GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL29106315 0.89 ALDH2 (0.71) ALDH2GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL30701820 0.89 ALDH2 (0.71) ALDH2GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL30701799 0.89 ALDH2 (0.78) ALDH2GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL29106413 0.89 ALDH2 (0.78) ALDH2GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL30701800 0.88 ALDH2 (0.70) ALDH2GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL29106356 0.87 ALDH2 (0.79) ALDH2GAAKDM4EHSD17B10SMN1; SMN2

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-109942537-B ALDH2 agonist, preparation method and application thereof 中国人民解放军第二军医大学 2023-11-17 CN claimed
CN-109942537-B ALDH2 agonist, preparation method and application thereof 中国人民解放军第二军医大学 2023-11-17 CN disclosed