SCHEMBL29128168

SCHEMBL29128168

CCc1cccc(OCSCc2c[nH]c(=O)[nH]2)c1CC

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ DPYD Q12882 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL29128408 0.89 L3MBTL1 (0.40) POLB
SCHEMBL29128383 0.87 SLC22A4 (0.32) HTR1ATAAR1PTGS2
SCHEMBL29128351 0.78 — —
SCHEMBL29128356 0.77 DAO (0.40) LMNA
SCHEMBL29128325 0.75 LMNA (0.34) POLBDPYDLMNA
SCHEMBL30800004 0.75 LMNA (0.34) POLBDPYDLMNA
SCHEMBL29128230 0.75 L3MBTL1 (0.39) —
SCHEMBL29128444 0.74 SOD1 (0.42) POLBLMNA
SCHEMBL29128511 0.74 MAPK1 (0.32) LMNA
SCHEMBL29128477 0.72 TRPA1 (0.36) POLBLMNA

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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