SCHEMBL17683049

SCHEMBL17683049

COC(=O)C1=CCC(I)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
XDH P47989 1/20 0.32
GFER P55789 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
FUT7 Q11130 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM3 P20309 2/20 0.32
PTPN1 P18031 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
THRB P10828 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL13720079 0.80 KCNH2 (0.35) KCNH2LMNAKDM4EPOLBGAA
SCHEMBL11886079 0.80 KCNH2 (0.35) KCNH2LMNAKDM4EPOLBGAA
SCHEMBL805476 0.79 GABRR1 (0.37) KCNH2LMNAKDM4EPOLBGAA
SCHEMBL23280320 0.77 ALDH1A1 (0.33) KCNH2LMNAKDM4EPOLBGAA
SCHEMBL11886388 0.77 KCNH2 (0.36) KCNH2LMNAKDM4EPOLBGAA
SCHEMBL12491666 0.77 KCNH2 (0.33) KCNH2LMNAKDM4EPOLBGAA
SCHEMBL17244532 0.77 GABRR1 (0.31) GABRR1
SCHEMBL16785727 0.76 KCNH2 (0.33) KCNH2LMNAKDM4EPOLBGAA
SCHEMBL11886490 0.76 TDP1 (0.34) KCNH2LMNAKDM4EPOLBGAA
SCHEMBL13639835 0.75 KCNH2 (0.32) KCNH2LMNAKDM4EPOLBGAA

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-2016055800-A2 FLUORESCENT SYNTHETIC RETINOIDS HIGH FORCE RESEARCH LIMITED (GB) 2016-04-14 WO disclosed