SCHEMBL29128201

SCHEMBL29128201

CC(C)c1ccc(OCc2c[nH]c(=S)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ MAOB P27338 3/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SOD1 P00441 1/20 0.35
▸ SLC22A4 Q9H015 1/20 0.35

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
SCHEMBL29128526 0.82 RXRA (0.44) RXRARXRBRAB9ANPC1POLB
SCHEMBL29128450 0.80 APP (0.41) RXRARXRBRAB9ANPC1KDM4E
SCHEMBL29128498 0.79 GAA (0.43) RAB9ANPC1KDM4EMAOBMAOA
SCHEMBL29128249 0.76 GAA (0.42) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL30799958 0.76 GAA (0.42) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL29128528 0.75 SLC22A4 (0.37) KDM4EL3MBTL1GAALMNASLC22A4
SCHEMBL30799938 0.73 MAOB (0.39) RAB9ANPC1POLBMAOBMAOA
SCHEMBL29128567 0.73 MAOB (0.39) RAB9ANPC1POLBMAOBMAOA
SCHEMBL29125892 0.73 SMN1; SMN2 (0.44) RXRARXRBRAB9ANPC1POLB
SCHEMBL30799885 0.72 KDM4C (0.44) RXRARXRBRAB9ANPC1POLB

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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