SCHEMBL29128195

SCHEMBL29128195

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL29128273 0.88 ALDH1A1 (0.35) MAPTMAPK1NPSR1KDM4E
SCHEMBL29128173 0.85 HTT (0.40) MAPTMAPK1NPSR1KDM4E
SCHEMBL29128200 0.78 — —
SCHEMBL29125791 0.77 KDM4E (0.38) MAPTMAPK1NPSR1KDM4E
SCHEMBL29128412 0.74 ALDH1A1 (0.32) KDM4E
SCHEMBL29128384 0.74 HTR1B (0.36) MAPTMAPK1KDM4E
SCHEMBL29128367 0.73 KDM4E (0.44) MAPTNPSR1KDM4E
SCHEMBL29128413 0.73 HTT (0.41) MAPTMAPK1NPSR1KDM4E
SCHEMBL29128302 0.72 APP (0.35) MAPT
SCHEMBL29128368 0.71 ALDH1A1 (0.49) MAPTMAPK1KDM4E

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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