SCHEMBL7535550

SCHEMBL7535550

CC(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 7/20 0.50
CD69 Q07108 1/20 0.46
PTPN1 P18031 1/20 0.43
OGA O60502 1/20 0.43
THRB P10828 2/20 0.42
CYP2D6 P10635 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC28A3 Q9HAS3 3/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.39
LGALS9 O00182 1/20 0.38
PYGB P11216 1/20 0.38

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
SCHEMBL7539269 1.00 LGALS8 (0.50) LGALS8CD69PTPN1OGATHRB
SCHEMBL7539275 1.00 LGALS8 (0.50) LGALS8CD69PTPN1OGATHRB
SCHEMBL25503300 1.00 LGALS8 (0.50) LGALS8CD69PTPN1OGATHRB
SCHEMBL25503512 1.00 LGALS8 (0.50) LGALS8CD69PTPN1OGATHRB
SCHEMBL15985656 1.00 LGALS8 (0.50) LGALS8CD69PTPN1OGATHRB
SCHEMBL14974995 1.00 LGALS8 (0.50) LGALS8CD69PTPN1OGATHRB
SCHEMBL7535545 1.00 LGALS8 (0.50) LGALS8CD69PTPN1OGATHRB
SCHEMBL15906242 1.00 LGALS8 (0.50) LGALS8CD69PTPN1OGATHRB
SCHEMBL16342089 0.95 LGALS8 (0.51) LGALS8CD69PTPN1OGATHRB
SCHEMBL13496092 0.95 LGALS8 (0.51) LGALS8CD69PTPN1OGATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198467-A1 5-NITROFURFURAL DERIVATIVES NORSK HYDRO ASA (NO) 2002-04-24 EP disclosed
WO-2001002412-A1 5-NITROFURFURAL DERIVATIVES NORSK HYDRO ASA (NO) 2001-01-11 WO disclosed