SCHEMBL28623508

SCHEMBL28623508

CC(C)NC(=O)C1Cc2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACHE P22303 2/20 0.47
THRB P10828 1/20 0.42
METAP1 P53582 2/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
SLC25A5 P05141 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8050743 0.80 MAPT (0.51) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL23768192 0.80 P2RX7 (0.49)
SCHEMBL856747 0.77 ACHE (0.56) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL28234149 0.77 RAB9A (0.61) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL29476747 0.76 ACHE (0.51) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1000380 0.76 ACHE (0.51) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL28616302 0.75 ALDH1A1 (0.64) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL30702212 0.75 MAPT (0.56) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL3948845 0.75 MAPT (0.56) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL5311960 0.74 KMT2A (0.55) MAPTKDM4EMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752213-B Method for preparing alpha-hydroxymethyl-beta-dicarbonyl compound by visible light excited disulfide catalysis 大连理工大学 2021-08-10 CN disclosed
CN-108558665-B Method for preparing alpha-hydroxy-beta-dicarbonyl compound by visible light excited disulfide catalysis 大连理工大学 2021-05-07 CN disclosed