SCHEMBL28445583

SCHEMBL28445583

COc1c(S)ccc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
PDE4B Q07343 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
MAOB P27338 1/20 0.35
CA1 P00915 3/20 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
SCHEMBL11882012 0.80 MAPT (0.48) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL70595 0.74 MAPT (0.57) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL1053291 0.74 TP53 (0.43) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL11760316 0.73 ALDH1A1 (0.48) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL69925 0.72 TDP1 (0.52) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL29403778 0.72 TDP1 (0.52) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL1049663 0.70 CA2 (0.45) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL22072749 0.70 GABRA1 (0.41) MAPTTP53CYP3A4KDM4EALDH1A1
SCHEMBL31388626 0.69 PIM1 (0.40) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL980216 0.69 PIM1 (0.40) ALDH1A1LMNAHPGDALOX15HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112513737-B Underlayer film forming composition 三菱瓦斯化学株式会社 2024-11-15 CN disclosed
CN-111655662-B Compound, resin, composition, resist pattern forming method, circuit pattern forming method, and resin purifying method 三菱瓦斯化学株式会社 2023-09-26 CN disclosed
CN-112513737-A Underlayer film-forming composition 三菱瓦斯化学株式会社 2021-03-16 CN disclosed
CN-111655662-A Compound, resin, composition, resist pattern forming method, circuit pattern forming method, and resin purifying method 三菱瓦斯化学株式会社 2020-09-11 CN disclosed