SCHEMBL28298775

SCHEMBL28298775

O=C(O)OC(C(=O)O)C(OC(=O)O)C(=O)O.[LiH].[LiH].[Mn].[Mn].[Ni].[Ni]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL7114338 0.91 TP53 (0.44) TP53TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL28211257 0.88 TP53 (0.42) TP53TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL27484021 0.88 TP53 (0.42) TP53TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL2878257 0.78 SLC1A3 (0.52) TP53TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL28297278 0.78 TSHR (0.43) TP53TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL7516069 0.74 TSHR (0.47) TP53TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL4950263 0.72 TSHR (0.45) TP53TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL7092944 0.67 TSHR (0.50) TP53TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL255602 0.67 TSHR (0.50) TP53TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL1442538 0.67 TSHR (0.50) TP53TSHRSLC1A3SLC1A2SLC1A1

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-109935827-A A kind of preparation method of nano bar-shape nickel ion doped and its application in cell positive material 合肥学院 2019-06-25 CN disclosed