SCHEMBL18176243

SCHEMBL18176243

Cc1cc(C(=O)OC(C)C)cc(O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.59
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
CA7 P43166 6/20 0.59
CA9 Q16790 6/20 0.59
CA14 Q9ULX7 6/20 0.59
PTPN11 Q06124 3/20 0.54
SERPINE1 P05121 4/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48
XDH P47989 1/20 0.48
GFER P55789 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
FUT7 Q11130 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL15412488 0.91 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL276309 0.89 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL9605443 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL3353446 0.79 LMNA (0.77) CA12CA1CA2CA7CA9
SCHEMBL16606258 0.78 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL15044101 0.76 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL25977045 0.76 PKM (0.62) SERPINE1KDM4EGAAL3MBTL1ESR1
SCHEMBL25475629 0.76 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL13739212 0.76 POLB (0.59) CA12CA1CA2CA7CA9
SCHEMBL17718140 0.76 KDM4E (0.55) CA12CA1CA2CA7CA9

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
US-20160312175-A1 Cell coating method using compound comprising gallate group and lanthanoid metal salt or transition metal salt KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-10-27 US disclosed