SCHEMBL18312573

SCHEMBL18312573

CC(=O)N[C@H]1C(O[C@@H]2OC(C(=O)O)[C@@H](O)C(O)[C@@H]2O)[C@H](O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@H](C)O[C@H]1OCCCCCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 3/20 0.59
LGALS3 P17931 3/20 0.59
LGALS4 P56470 3/20 0.59
MAPK1 P28482 1/20 0.52
BDNF P23560 3/20 0.52
MDK P21741 3/20 0.52
PTN P21246 2/20 0.52
BMP2 P12643 3/20 0.45
VEGFA P15692 3/20 0.45
IFNG P01579 2/20 0.45
FGF1 P05230 1/20 0.45
FGF2 P09038 1/20 0.45
SFRP1 Q8N474 1/20 0.45
IGF2R P11717 2/20 0.44
SELL P14151 1/20 0.40
CXCL12 P48061 2/20 0.39
SHH Q15465 2/20 0.39
PF4 P02776 1/20 0.39
CCL2 P13500 1/20 0.39
SELP P16109 1/20 0.39

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
SCHEMBL18312865 1.00 LGALS8 (0.59) LGALS8LGALS3LGALS4MAPK1BDNF
SCHEMBL18312676 0.94 LGALS3 (0.53) LGALS8LGALS3LGALS4MAPK1BDNF
SCHEMBL18312866 0.94 LGALS3 (0.53) LGALS8LGALS3LGALS4MAPK1BDNF
SCHEMBL18313211 0.93 LGALS8 (0.54) LGALS8LGALS3LGALS4MAPK1BDNF
SCHEMBL21843053 0.93 LGALS8 (0.54) LGALS8LGALS3LGALS4MAPK1BDNF
SCHEMBL18312441 0.93 LGALS8 (0.54) LGALS8LGALS3LGALS4MAPK1BDNF
SCHEMBL21843048 0.87 LGALS8 (0.48) LGALS8LGALS3LGALS4MAPK1BDNF
SCHEMBL18312756 0.87 LGALS8 (0.48) LGALS8LGALS3LGALS4MAPK1BDNF
SCHEMBL23343913 0.86 LGALS8 (0.49) LGALS8LGALS3LGALS4MAPK1BDNF
SCHEMBL23343945 0.85 LGALS3 (0.47) LGALS8LGALS3LGALS4MAPK1BDNF

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
WO-2016198170-A1 VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE SEROTYPE 5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-12-15 WO disclosed