SCHEMBL29128319

SCHEMBL29128319

Fc1cccc(OCc2c[nH]c(=S)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MAOB P27338 4/20 0.44
▸ DAO P14920 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL30800058 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29128295 0.83 DAO (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30799977 0.83 DAO (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29128523 0.82 LTA4H (0.41) MAOBALDH1A1KDM4EALOX15TSHR
SCHEMBL30800063 0.82 LTA4H (0.41) MAOBALDH1A1KDM4EALOX15TSHR
SCHEMBL29128414 0.82 SMN1; SMN2 (0.44) HDAC6DAOALDH1A1MEN1MAPT
SCHEMBL29128479 0.78 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL29128219 0.73 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2AALOX15
SCHEMBL29128411 0.72 NPC1 (0.52) ALDH1A1MAPTKMT2AALOX15TSHR
SCHEMBL255033 0.67 TP53 (0.59) MAOBDAOMAPK1MRGPRX4

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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