SCHEMBL6548903

SCHEMBL6548903

CC(=NO)c1ccc(OCCCOc2c(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 0.40
GAA P10253 4/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA9 Q16790 1/20 0.33
TMPRSS2 O15393 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
PRSS1 P07477 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
DPP4 P27487 1/20 0.30
PLA2G4B P0C869 1/20 0.30

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
SCHEMBL6548880 0.98 HTT (0.41) HTTFURINGAARAB9AL3MBTL1
SCHEMBL6547457 0.97 HTT (0.40) HTTFURINGAARAB9AL3MBTL1
SCHEMBL6547693 0.97 HTT (0.41) HTTFURINGAARAB9AL3MBTL1
SCHEMBL6548442 0.89 HTT (0.39) HTTFURINGAARAB9AL3MBTL1
SCHEMBL6547829 0.89 HTT (0.39) HTTFURINGAAL3MBTL1MAPT
SCHEMBL3185519 0.88 HTT (0.37) HTTFURINGAARAB9AL3MBTL1
SCHEMBL3185522 0.88 HTT (0.37) HTTFURINGAARAB9AL3MBTL1
SCHEMBL6548681 0.88 HTT (0.39) HTTFURINGAARAB9AL3MBTL1
SCHEMBL6548004 0.88 HTT (0.35) HTTCA9PPARGPPARA
SCHEMBL3963155 0.87 HTT (0.43) HTTFURINGAARAB9AL3MBTL1

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