SCHEMBL28845307

SCHEMBL28845307

CC(=O)[Fe](C(C)=O)(C(C)=O)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.43
CA2 P00918 1/20 0.43
PTGS1 P23219 1/20 0.43
MMP12 P39900 1/20 0.43
TSHR P16473 2/20 0.42
THPO P40225 1/20 0.42
FFAR3 O14843 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
NFKB1 P19838 1/20 0.40
CA1 P00915 2/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
ALDH1A1 P00352 5/20 0.33
CA4 P22748 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CRBN Q96SW2 1/20 0.33
TRPA1 O75762 1/20 0.31

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
SCHEMBL606948 0.70
SCHEMBL42882 0.67
Acetone SCHEMBL8041527 0.65 LMNA (1.00) LMNAKDM4ECA2PTGS1MMP12
Acetone SCHEMBL7459124 0.65
Acetone SCHEMBL662 0.65
Acetone SCHEMBL13343996 0.65
Acetone SCHEMBL1330194 0.65
Acetone SCHEMBL528137 0.65 LMNA (1.00) LMNAKDM4ECA2PTGS1MMP12
Acetone SCHEMBL10051950 0.65
Acetone SCHEMBL10051943 0.65

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-106807374-A A kind of high-specific surface area integral alumina supported ferric catalyst 平潭自贸区金瑜环保材料有限公司 2017-06-09 CN claimed
CN-106807374-A A kind of high-specific surface area integral alumina supported ferric catalyst 平潭自贸区金瑜环保材料有限公司 2017-06-09 CN disclosed