SCHEMBL29128475

SCHEMBL29128475

CCc1ccc(CC)c(OCc2c[nH]c(=O)[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 2/20 0.40
▸ LMNA P02545 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.34
▸ DPYD Q12882 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33

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
SCHEMBL29128373 0.85 SOD1 (0.36) SOD1GPR84
SCHEMBL8625508 0.72 SOD1 (0.39) SOD1LMNA
SCHEMBL12797858 0.71 MAPT (0.48) LMNA
SCHEMBL29128459 0.71 NPC1 (0.44) LMNA
SCHEMBL2290437 0.70 FFAR4 (0.51) —
SCHEMBL14228274 0.69 ABCB1 (0.49) —
SCHEMBL11162897 0.69 CSNK2A1 (0.45) LMNA
SCHEMBL29128407 0.69 MEN1 (0.49) LMNA
SCHEMBL29128299 0.69 DPYD (0.36) DPYD
SCHEMBL13955851 0.68 L3MBTL1 (0.46) LMNA

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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