SCHEMBL28338656

SCHEMBL28338656

CC(=O)CC(=O)CC(C)=O.[Zr]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
KDM6B O15054 1/20 0.55
KDM5C P41229 1/20 0.55
EGLN1 Q9GZT9 1/20 0.55
PHF8 Q9UPP1 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
HTT P42858 2/20 0.43
TRPA1 O75762 1/20 0.41
LMNA P02545 4/20 0.36
CA2 P00918 1/20 0.35
PTGS1 P23219 1/20 0.35
MMP12 P39900 1/20 0.35
SLC15A2 Q16348 1/20 0.35
NFKB1 P19838 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
SCHEMBL235434 0.96 KDM4E (0.58) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL26967576 0.92 KDM4E (0.55) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL28123714 0.92 KDM4E (0.55) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL28706026 0.92 KDM4E (0.55) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL10936077 0.92 KDM4E (0.55) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL3519320 0.92 KDM4E (0.55) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL28634328 0.89 KDM4E (0.52) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL28832780 0.87 EGLN1 (0.59) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL1005355 0.84 MGAM (0.53) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL185037 0.84

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-110540679-A Rubber composition for tire and pneumatic tire SUMITOMO RUBBER IND 2019-12-06 CN disclosed
CN-110540687-A Rubber composition for tire and pneumatic tire SUMITOMO RUBBER IND 2019-12-06 CN disclosed