SCHEMBL28976216

SCHEMBL28976216

CC(C)(C)CC(=O)NCC(=O)NCCc1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
GAA P10253 1/20 0.61
ERCC1 P07992 1/20 0.59
ERCC4 Q92889 1/20 0.59
MAPT P10636 6/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
HIF1A Q16665 3/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
BLM P54132 2/20 0.58
ALDH1A1 P00352 2/20 0.58
PTGS1 P23219 1/20 0.58
TRPV1 Q8NER1 3/20 0.55
TP53 P04637 2/20 0.52
CYP1A2 P05177 2/20 0.52
ALOX15 P16050 2/20 0.52
NFKB1 P19838 2/20 0.52
MAPK1 P28482 2/20 0.52

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
SCHEMBL25850064 0.94 MAPT (0.65) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL18557027 0.83 MAPT (0.61) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL7517472 0.82 MEN1 (0.58) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL21377593 0.81 MAPT (0.65) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL17205984 0.78 MAPT (0.71) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL12412212 0.78 ESRRG (0.64) GAAMAPTHPGDKDM4ECYP1A2
SCHEMBL7709592 0.78 MEN1 (0.80) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL109158 0.78 MAPT (0.73) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL11734210 0.77 MAPT (0.69) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL109104 0.76 MAPT (0.68) MEN1KMT2AGAAERCC1ERCC4

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-115869419-A Double-response type Fe 3 O 4 Nano drug-loaded assembly and preparation method thereof 中国药科大学 2023-03-31 CN disclosed