SCHEMBL6547432

SCHEMBL6547432

CCC(=NO)c1ccc(OCCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
PLA2G4B P0C869 1/20 0.33
SLC2A1 P11166 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ORAI1 Q96D31 1/20 0.32
FOXM1 Q08050 1/20 0.32
RARB P10826 2/20 0.32

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
SCHEMBL6548797 0.99 GAA (0.38) GAARAB9ATP53MAPTNPC1
SCHEMBL6547608 0.97 GAA (0.37) GAARAB9ATP53MAPTNPC1
SCHEMBL6547457 0.87 HTT (0.40) GAARAB9ATP53MAPTNPC1
SCHEMBL6548907 0.86 L3MBTL1 (0.36) GAARAB9AMAPTLMNAHTT
SCHEMBL6548880 0.86 HTT (0.41) GAARAB9ATP53MAPTNPC1
SCHEMBL8022488 0.85 HTT (0.43) GAARAB9ATP53MAPTNPC1
SCHEMBL8021472 0.84 HTT (0.43) GAARAB9ATP53MAPTNPC1
SCHEMBL6548903 0.84 HTT (0.41) GAARAB9ATP53MAPTNPC1
SCHEMBL3185522 0.83 HTT (0.37) GAARAB9ATP53MAPTNPC1
SCHEMBL3185519 0.83 HTT (0.37) GAARAB9ATP53MAPTNPC1

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