SCHEMBL29128276

SCHEMBL29128276

CCc1ccc(OCSCc2c[nH]c(=O)o2)c(CC)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ELANE P08246 1/20 0.30
▸ AKT1 P31749 1/20 0.30

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
SCHEMBL29128551 0.88 DAO (0.32) DAOAKT1
SCHEMBL29128226 0.84 L3MBTL1 (0.39) KDM4EALDH1A1MAPTHPGD
SCHEMBL29125944 0.80 NOTUM (0.41) KDM4EALDH1A1MAPTHPGDELANE
SCHEMBL29128202 0.74 — —
SCHEMBL29128189 0.73 GABRA1 (0.33) KDM4EALDH1A1
SCHEMBL29128606 0.73 ADRA1D (0.30) —
SCHEMBL30799876 0.72 SOD1 (0.42) KDM4EALDH1A1
SCHEMBL29128520 0.72 L3MBTL1 (0.39) KDM4EALDH1A1MAPTHPGD
SCHEMBL29128447 0.71 LYN (0.40) ALDH1A1
SCHEMBL29128164 0.69 APP (0.33) —

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
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