SCHEMBL2469839

SCHEMBL2469839

COC(=O)c1cc(C(=O)OCCO)cc(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
KDM4E B2RXH2 3/20 0.40
CA2 P00918 5/20 0.39
CA1 P00915 4/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FUT7 Q11130 1/20 0.38

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
SCHEMBL2469844 0.98 LCK (0.43) LCKFYNKDM4ECA2CA1
SCHEMBL1602982 0.92 LCK (0.48) LCKFYNCA2CA1TDP1
SCHEMBL3846745 0.91 LCK (0.50) LCKFYNCA2CA1TDP1
SCHEMBL31148945 0.91 LCK (0.50) LCKFYNCA2CA1TDP1
SCHEMBL31148946 0.91 LCK (0.50) LCKFYNCA2CA1TDP1
SCHEMBL434339 0.89 LCK (0.48) LCKFYNCA2CA1TDP1
SCHEMBL1603985 0.89 LCK (0.48) LCKFYNCA2CA1TDP1
SCHEMBL13520458 0.89 POLB (0.43) LCKFYNKDM4ECA2POLB
SCHEMBL19886175 0.87 SERPINE1 (0.49) LCKFYNKDM4ECA2CA1
SCHEMBL19886174 0.87 LCK (0.43) LCKFYNCA2CA1SERPINE1

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
EP-1664152-B1 IONOMERIC OXYGEN SCAVENGER COMPOSITIONS CRYOVAC INC (US) 2011-10-05 EP disclosed
US-6872451-B2 Ionomeric oxygen scavenger compositions CRYOVAC, INC. (US) 2005-03-29 US disclosed