SCHEMBL28858707

SCHEMBL28858707

COC1(OC(=O)c2ccccc2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 2/20 0.43
LGALS1 P09382 2/20 0.43
LGALS3 P17931 2/20 0.43
LGALS7; LGALS7B P47929 2/20 0.43
PYGB P11216 2/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 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
SCHEMBL27493019 0.84 KMT2A (0.41) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL6003949 0.82 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BPYGB
SCHEMBL28268402 0.80 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL8621909 0.79 PYGB (0.46) PYGB
SCHEMBL8619177 0.79 PYGB (0.46) PYGB
SCHEMBL27987102 0.76 LGALS8 (0.38) PYGB
SCHEMBL27987076 0.76 LGALS8 (0.38) PYGB
SCHEMBL28255387 0.76 LGALS8 (0.38) PYGB
SCHEMBL27938358 0.76 LGALS8 (0.38) PYGB
SCHEMBL27981304 0.76 LGALS8 (0.38) PYGB

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
CN-105017349-B A kind of glycosyl indole derivatives and its preparation and application 杭州师范大学 2018-04-20 CN disclosed