SCHEMBL8022171

SCHEMBL8022171

CO/N=C(/C(=O)O)c1ccccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.52
HIF1A Q16665 1/20 0.52
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.49
LIPE Q05469 1/20 0.49
PTGER1 P34995 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RXRA P19793 1/20 0.47
PARP1 P09874 1/20 0.47
BRD4 O60885 1/20 0.47

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
SCHEMBL8022176 1.00 SGMS2 (0.52) SGMS2HIF1ANPC1HTTGAA
SCHEMBL8881918 0.89 HIF1A (0.65) SGMS2HIF1ANPC1HTTGAA
SCHEMBL9694581 0.89 HIF1A (0.65) SGMS2HIF1ANPC1HTTGAA
SCHEMBL8881912 0.89 HIF1A (0.65) SGMS2HIF1ANPC1HTTGAA
SCHEMBL8954633 0.87 SGMS2 (0.51) SGMS2HIF1ANPC1HTTGAA
SCHEMBL8880953 0.87 HIF1A (0.48) SGMS2HIF1ANPC1HTTGAA
SCHEMBL8368335 0.87 SGMS2 (0.51) SGMS2HIF1ANPC1HTTGAA
SCHEMBL8880949 0.87 HIF1A (0.48) SGMS2HIF1ANPC1HTTGAA
SCHEMBL8368334 0.87 SGMS2 (0.51) SGMS2HIF1ANPC1HTTGAA
SCHEMBL8020206 0.85 HCRTR1 (0.51) HTTGAAMEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed