SCHEMBL21095314

SCHEMBL21095314

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 2/20 0.34
LGALS3 P17931 2/20 0.34
LGALS9 O00182 1/20 0.34
LGALS8 O00214 1/20 0.34
MAPK1 P28482 1/20 0.33
PYGB P11216 2/20 0.31
GAA P10253 1/20 0.31
RPS6KA3 P51812 1/20 0.30
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 1/20 0.30
MGAM O43451 1/20 0.30

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
SCHEMBL21096133 1.00 LGALS1 (0.34) LGALS1LGALS3LGALS9LGALS8MAPK1
SCHEMBL21095312 1.00 LGALS1 (0.34) LGALS1LGALS3LGALS9LGALS8MAPK1
SCHEMBL12231786 1.00 LGALS1 (0.34) LGALS1LGALS3LGALS9LGALS8MAPK1
SCHEMBL20233469 1.00 LGALS1 (0.34) LGALS1LGALS3LGALS9LGALS8MAPK1
SCHEMBL21095319 1.00 LGALS1 (0.34) LGALS1LGALS3LGALS9LGALS8MAPK1
SCHEMBL21095309 1.00 LGALS1 (0.34) LGALS1LGALS3LGALS9LGALS8MAPK1
SCHEMBL26138058 0.98 MAPK1 (0.33) LGALS1LGALS3LGALS9LGALS8MAPK1
SCHEMBL19975699 0.84 LGALS1 (0.33) LGALS1LGALS3LGALS9LGALS8MAPK1
SCHEMBL13955988 0.84 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL16837353 0.84 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019115624-A1 CARBABORANE-MODIFIED GHRELIN RECEPTOR AGONISTS FOR BNCT UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed
WO-2019115614-A1 PEPTIDIC MELANOCORTIN 1 RECEPTOR AGONIST - SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed
WO-2019115611-A1 PEPTIDIC BB2 RECEPTOR AGONIST – SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed
WO-2019115609-A1 SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES OF HUMAN PEPTIDE Y UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed