SCHEMBL6548880

SCHEMBL6548880

CC(=NO)c1ccc(OCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
FURIN P09958 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 3/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRSS1 P07477 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 1/20 0.31
RAD52 P43351 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
SCHEMBL6547457 0.99 HTT (0.40) HTTFURINL3MBTL1GAARAB9A
SCHEMBL6548903 0.98 HTT (0.41) HTTFURINL3MBTL1GAARAB9A
SCHEMBL6547693 0.97 HTT (0.41) HTTFURINL3MBTL1GAARAB9A
SCHEMBL6548268 0.89 HTT (0.39) HTTFURINL3MBTL1GAARAB9A
SCHEMBL6547887 0.89 HTT (0.39) HTTFURINL3MBTL1GAARAB9A
SCHEMBL6548597 0.88 HTT (0.39) HTTFURINL3MBTL1GAARAB9A
SCHEMBL6548004 0.88 HTT (0.35) HTTCA9F2
SCHEMBL6549633 0.87 HTT (0.38) HTTFURINL3MBTL1GAARAB9A
SCHEMBL6548310 0.87 HTT (0.38) HTTFURINL3MBTL1GAARAB9A
SCHEMBL6548797 0.87 GAA (0.38) HTTL3MBTL1GAARAB9ATP53

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
EP-0975586-B1 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed