SCHEMBL6048321

SCHEMBL6048321

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.39
AKR1B1 P15121 1/20 0.32

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
SCHEMBL1092322 1.00 PAX8 (0.39) PAX8AKR1B1
SCHEMBL5841129 0.76 PAX8 (0.33) PAX8AKR1B1
SCHEMBL17748252 0.71 PAX8 (0.41) PAX8
SCHEMBL9274321 0.71 FDPS (0.32) PAX8AKR1B1
SCHEMBL9239808 0.70 CYP2D6 (0.33) PAX8
SCHEMBL7541341 0.69 AKR1B1 (0.34) AKR1B1
SCHEMBL27509390 0.68 AKR1B1 (0.30) AKR1B1
SCHEMBL27509391 0.68 AKR1B1 (0.30) AKR1B1
SCHEMBL30119760 0.67 THRB (0.31)
SCHEMBL18211563 0.66 PAX8 (0.32) PAX8

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
WO-2006024283-A2 COMPOUNDS AND METHODS FOR THE TREATMENT, DIAGNOSIS AND PROGNOSIS OF PANCREATIC DISEASES Technische Universität Dresden (DE) 2006-03-09 WO disclosed
US-5527891-A REACTING N-ACETYLGALACTOSAMINE WITH DIALKYL ACETAL OF ALDEHYDE OR KETONE, PROTECTING 3-HYDROXY GROUP, INTRODUCING ANOMERIC GROUP TO FORM GLYCOSYL DONOR, REACTING WITH ALCOHOL BIOMIRA, INC. (CA) 1996-06-18 US disclosed