SCHEMBL20199381

SCHEMBL20199381

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 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
ESR1 P03372 4/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
POLA1 P09884 1/20 0.39

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
SCHEMBL39049 0.89 POLB (0.61) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL13243342 0.83 SERPINE1 (0.44) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL1174843 0.81 ESR1 (0.46) SERPINE1ESR1CA12CA1CA2
SCHEMBL13243341 0.81 PTGS2 (0.61) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL31588013 0.80 SHBG (0.45) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL31588038 0.80 SHBG (0.45) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL3353446 0.79 LMNA (0.77) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL1570461 0.79 CA12 (0.47) KDM4ELMNAXDHTDP1ESR1
SCHEMBL17184949 0.79 CA12 (0.47) SERPINE1XDHCA12CA1CA2
SCHEMBL7058435 0.78 CA12 (0.47) SERPINE1POLBKDM4ELMNAGAA

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-20180147326-A1 Antifouling Polymeric Coating Compositions THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-05-31 US disclosed