SCHEMBL30799962

SCHEMBL30799962

CCc1cccc(OCCSCc2c[nH]c(=O)[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SOD1 P00441 1/20 0.45
DPYD Q12882 1/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29128495 1.00 LMNA (0.50) LMNASOD1DPYDMAPK1L3MBTL1
SCHEMBL30800038 0.86 KDM4E (0.41) LMNASOD1MAPK1L3MBTL1TSHR
SCHEMBL29128210 0.86 KDM4E (0.41) LMNASOD1MAPK1L3MBTL1TSHR
SCHEMBL30799972 0.83 DAO (0.44) DPYDMAPK1KDM4EALDH1A1
SCHEMBL29128397 0.83 DAO (0.44) DPYDMAPK1KDM4EALDH1A1
SCHEMBL30799876 0.78 SOD1 (0.42) LMNASOD1MAPK1L3MBTL1TSHR
SCHEMBL29128291 0.78 SOD1 (0.42) LMNASOD1MAPK1L3MBTL1TSHR
SCHEMBL30799922 0.78 RAB9A (0.42) LMNASOD1L3MBTL1KDM4EALDH1A1
SCHEMBL30800062 0.77 CYP1A2 (0.32) LMNATSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL29128313 0.77 CYP1A2 (0.32) LMNATSHRKDM4EALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 CN disclosed