SCHEMBL30388366

SCHEMBL30388366

CC(=O)CC(C)=O.CC(=O)CC(C)=O.[Ni+2]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
HTT P42858 2/20 0.47
TRPA1 O75762 1/20 0.47
KDM4E B2RXH2 3/20 0.45
KDM6B O15054 1/20 0.45
KDM5C P41229 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
PHF8 Q9UPP1 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
LMNA P02545 4/20 0.42
CA2 P00918 1/20 0.40
PTGS1 P23219 1/20 0.40
MMP12 P39900 1/20 0.40
SLC15A2 Q16348 1/20 0.39
TSHR P16473 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
SCHEMBL29629171 1.00
Water SCHEMBL30665191 0.96
SCHEMBL2128645 0.95 MGAM (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10389469 0.95 MGAM (0.56) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1608 0.95
Water SCHEMBL23151837 0.91 MGAM (0.53) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21404935 0.91
SCHEMBL166518 0.91
SCHEMBL22325638 0.91
SCHEMBL21404928 0.91

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-113382977-B Method for removing organic component from ceramic molded body 花王株式会社 2023-05-05 CN disclosed