SCHEMBL20203360

SCHEMBL20203360

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
XDH P47989 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
FUT7 Q11130 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SERPINE1 P05121 7/20 0.53
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ESR1 P03372 2/20 0.44

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
SCHEMBL276309 0.81 CA12 (0.68) POLBKDM4ELMNAGAANFKB1
SCHEMBL13739212 0.79 POLB (0.59) POLBKDM4ELMNAGAANFKB1
SCHEMBL5159711 0.76 POLB (0.60) POLBKDM4ELMNAGAANFKB1
SCHEMBL39233 0.75 SERPINE1 (0.57) POLBKDM4ELMNAGAANFKB1
SCHEMBL9195446 0.74 CA1 (0.69) KDM4ELMNATDP1CA12CA1
SCHEMBL28037784 0.74 TSHR (0.55) POLBLMNATDP1CA12CA1
Hydrochloric Acid SCHEMBL20956310 0.74 POLB (0.52) POLBKDM4ELMNAGAANFKB1
SCHEMBL25142271 0.72 SERPINE1 (0.54) POLBKDM4ELMNAGAANFKB1
SCHEMBL4732226 0.72 NSD2 (0.56) POLBKDM4ELMNAGAANFKB1
SCHEMBL4137305 0.72 SERPINE1 (0.73) POLBKDM4ELMNAGAANFKB1

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