SCHEMBL9443607

SCHEMBL9443607

CO[C@H]1O[C@H](CO)[C@H](O)[C@@](O)(C(=O)c2ccccc2)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 5/20 0.44
ALDH1A1 P00352 1/20 0.39
LGALS3 P17931 4/20 0.38
LGALS9 O00182 2/20 0.38
LGALS1 P09382 2/20 0.38
LGALS7; LGALS7B P47929 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
MAOB P27338 1/20 0.38
LGALS4 P56470 1/20 0.37
OGA O60502 1/20 0.36

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
SCHEMBL28448343 0.82 HK1 (0.41) ALDH1A1LGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL28448346 0.82 HK1 (0.41) ALDH1A1LGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL8369357 0.74 LGALS3 (0.47) LGALS8LGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL10512074 0.73 LGALS8 (0.44) LGALS8LGALS3OGA
SCHEMBL22490904 0.72 LGALS9 (0.44) ALDH1A1LGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL9094228 0.72 LGALS8 (0.35) LGALS8ALDH1A1CA2CA9CA1
SCHEMBL8371129 0.71 LGALS9 (0.39) LGALS8ALDH1A1LGALS3LGALS9LGALS1
SCHEMBL9767764 0.71 CES1 (0.46) ALDH1A1CA2CA9CA1
SCHEMBL9767838 0.71 CES1 (0.46) ALDH1A1CA2CA9CA1
SCHEMBL9767756 0.71 CES1 (0.46) ALDH1A1CA2CA9CA1

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
US-5243035-A Drug delivery DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) 1993-09-07 US disclosed
EP-0489162-A1 DERIVATIVE OF GLYCOLIPID CONTAINING SIALIC ACID DRUG DELIVERY SYSTEM INSTITUTE, LTD. (JP) 1992-06-10 EP disclosed