SCHEMBL29128425

SCHEMBL29128425

CCC(Oc1ccccc1F)SCc1c[nH]c(=O)o1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ DAO P14920 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL29128394 0.89 TRPA1 (0.34) MAPTL3MBTL1HPGD
SCHEMBL29128181 0.83 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPSR1
SCHEMBL29128243 0.82 — —
SCHEMBL29128541 0.78 — —
SCHEMBL29128449 0.77 MAPT (0.31) MAPT
SCHEMBL29128593 0.77 LDHA (0.31) —
SCHEMBL29128409 0.77 CXCR2 (0.34) —
SCHEMBL29128338 0.76 HTR2A (0.34) MAPTL3MBTL1HPGD
SCHEMBL29128417 0.76 — —
SCHEMBL29128439 0.75 — —

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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