SCHEMBL7133452

SCHEMBL7133452

O=C(O)CC(CC(=O)O)(OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.49
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
FUT7 Q11130 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
POLA1 P09884 1/20 0.44
ANTXR2 P58335 1/20 0.44
NSD2 O96028 1/20 0.44
CA12 O43570 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL2852476 0.78 LMNA (0.49) POLBKDM4ELMNATDP1L3MBTL1
SCHEMBL2071064 0.77 TDP1 (0.47) POLBKDM4ELMNATDP1L3MBTL1
SCHEMBL1289443 0.76 TDP1 (0.46) POLBKDM4ELMNATDP1L3MBTL1
SCHEMBL28075408 0.76 TDP1 (0.46) POLBKDM4ELMNATDP1L3MBTL1
Hydrochloric Acid SCHEMBL18584396 0.75 TDP1 (0.44) POLBLMNATDP1ALDH1A1TP53
SCHEMBL8606199 0.72 ALDH1A1 (0.32) ALDH1A1HSD17B10
SCHEMBL2712904 0.72 TDP1 (0.53) KDM4ELMNATDP1L3MBTL1GAA
Gallic Acid Methyl Ester SCHEMBL29280384 0.72 LMNA (0.57) SERPINE1POLBKDM4ELMNAFUT7
SCHEMBL8966541 0.71 TDP1 (0.46) LMNATDP1L3MBTL1ALDH1A1CA1
SCHEMBL3485285 0.71 TDP1 (0.51) KDM4ELMNATDP1L3MBTL1GAA

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
WO-2003026704-A1 METHODS OF STERILIZING BIOLOGICAL MIXTURES USING STABILIZER MIXTURES CLEARANT, INC. (US) 2003-04-03 WO disclosed