SCHEMBL29128273

SCHEMBL29128273

CC(C)(C)c1ccc(C(C)(C)C)c(OCCSCc2c[nH]c(=S)o2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL29128195 0.88 MAPT (0.32) KDM4EMAPTMAPK1NPSR1
SCHEMBL29128413 0.85 HTT (0.41) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL29125939 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL29128234 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL29128536 0.74 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL29128468 0.74 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL29128173 0.73 HTT (0.40) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL29128340 0.72 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAHTT
SCHEMBL29128354 0.72 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL29128185 0.71 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAMAPTNPSR1

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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