SCHEMBL17050870

SCHEMBL17050870

CCCCO[C@H]1C(CO)O[C@@H](SCC)[C@@H](OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 6/20 0.52
LGALS1 P09382 6/20 0.52
LGALS3 P17931 6/20 0.52
LGALS7; LGALS7B P47929 5/20 0.52
LGALS8 O00214 3/20 0.41
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
RNASE1 P07998 1/20 0.34
TACR2 P21452 1/20 0.34

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
SCHEMBL12848039 0.90 LGALS9 (0.59) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL16326716 0.88 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL8271922 0.88 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL16326779 0.88 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL8271047 0.88 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL25032197 0.87 LGALS9 (0.52) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL5827572 0.87 LGALS9 (0.52) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL12642964 0.86 LGALS9 (0.51) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL16329927 0.86 LGALS9 (0.51) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL16588617 0.85 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA

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-2411528-B1 ALPHA-SELECTIVE SIALYL PHOSPHATE DONORS FOR PREPARATION OF SIALOSIDES AND SIALOSIDE ARRAYS FOR INFLUENZA VIRUS DETECTION ACADEMIA SINICA (TW) 2015-09-02 EP disclosed