SCHEMBL29128519

SCHEMBL29128519

CCc1cccc(CC)c1OC(CC)SCc1c[nH]c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ DAO P14920 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
SCHEMBL29128454 0.86 ADRA2A (0.33) ADRA2AADRA2BADRA2CPIM1PIM3
SCHEMBL29128548 0.82 L3MBTL1 (0.34) —
SCHEMBL29128360 0.80 LMNA (0.32) DAO
SCHEMBL29128294 0.80 POLB (0.31) —
SCHEMBL29128255 0.79 POLB (0.34) —
SCHEMBL29128493 0.79 SOD1 (0.36) —
SCHEMBL29128588 0.78 MAPT (0.37) ADRA2AADRA2BADRA2CDAO
SCHEMBL29126008 0.78 TSHR (0.43) ADRA2AADRA2BADRA2CDAO
SCHEMBL29128531 0.78 TACR1 (0.32) DAO
SCHEMBL29128435 0.76 POLB (0.35) —

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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