SCHEMBL6948179

SCHEMBL6948179

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

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 4/20 0.85
LGALS8 O00214 3/20 0.85
LGALS4 P56470 3/20 0.85
MAPK1 P28482 1/20 0.65
CD69 Q07108 1/20 0.51
CHIA Q9BZP6 1/20 0.48
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGLEC7 Q9Y286 2/20 0.43
B4GALT1 P15291 1/20 0.42

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
SCHEMBL17822271 0.90 LGALS3 (0.69) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL17822291 0.90 LGALS3 (0.69) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL17832654 0.90 LGALS3 (0.69) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL2482720 0.89 LGALS8 (0.80) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL12715191 0.89 LGALS8 (0.80) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL14355286 0.89 LGALS8 (0.80) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL12715043 0.89 LGALS8 (0.80) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL18947591 0.89 MAPK1 (0.76) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL14380157 0.88 LGALS3 (0.88) LGALS3LGALS8LGALS4MAPK1CD69
SCHEMBL12880840 0.88 LGALS3 (0.88) LGALS3LGALS8LGALS4MAPK1CD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005644-B1 BIOSENSOR DEVICE AND METHOD PENCE INC (CA) 2003-03-12 EP disclosed
US-6300141-B1 APPARATUS FOR ACCURATE, EFFICIENT AND SENSITIVE DETECTION OF PREFERENTIAL PARTICLE IN SAMPLE HELIX BIOPHARMA CORPORATION (CA) 2001-10-09 US disclosed
US-6130037-A Biosensor device and method PENCE AND MCGILL UNIVERSITY (CA) 2000-10-10 US disclosed
WO-2000052457-A1 CARD-BASED BIOSENSOR DEVICE HELIX BIOPHARMA CORPORATION (CA) 2000-09-08 WO disclosed
US-6107080-A INCLUDES ELECTRODE SUBSTRATE COATED WITH A HIGH-DIELECTRIC HYDROCARBON-CHAIN MONOLAYER WITH LIGANDS ATTACHED TO EXPOSED MONOLAYER SURFACE; BINDING OF RECEPTOR TO LIGAND CAUSES ION-MEDIATED ELECTRON FLOW ACROSS THE MONOLAYER MCGILL UNIVERSITY (CA) 2000-08-22 US disclosed
US-5955379-A APPARATUS FOR DETECTING BINDING BETWEEN OLIGOSACCHARIDE LIGAND AND SPECIFIC BINDING RECEPTOR; HAVING ELECTRODE SUBSTRATE COATED WITH HIGH-DIELECTRIC HYDROCARBON-CHAIN MONOLAYER, AND HAVING LIGANDS ATTACHED TO EXPOSED SURFACE MCGILL UNIVERSITY (CA) 1999-09-21 US disclosed