SCHEMBL6548797

SCHEMBL6548797

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
THRB P10828 1/20 0.33
ORAI1 Q96D31 1/20 0.33
TSHR P16473 1/20 0.32
PLA2G4B P0C869 1/20 0.32
NR1I2 O75469 1/20 0.32
DPP4 P27487 1/20 0.31
SLC2A1 P11166 2/20 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
SCHEMBL6547432 0.99 GAA (0.39) GAARAB9AMAPTTP53NPC1
SCHEMBL6547608 0.98 GAA (0.37) GAARAB9AMAPTTP53NPC1
SCHEMBL6548907 0.87 L3MBTL1 (0.36) GAARAB9AMAPTLMNAHTT
SCHEMBL6548880 0.87 HTT (0.41) GAARAB9AMAPTTP53NPC1
SCHEMBL6547457 0.86 HTT (0.40) GAARAB9AMAPTTP53NPC1
SCHEMBL8021472 0.84 HTT (0.43) GAARAB9AMAPTTP53NPC1
SCHEMBL6548903 0.84 HTT (0.41) GAARAB9AMAPTTP53NPC1
SCHEMBL3185522 0.84 HTT (0.37) GAARAB9AMAPTTP53NPC1
SCHEMBL3185519 0.84 HTT (0.37) GAARAB9AMAPTTP53NPC1
SCHEMBL8022488 0.83 HTT (0.43) GAARAB9AMAPTTP53NPC1

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