SCHEMBL11439690

SCHEMBL11439690

NCCCCCCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.65
GAA P10253 1/20 0.60
EPHX2 P34913 1/20 0.50
PRKCA P17252 1/20 0.48
AKT1 P31749 1/20 0.48
PTK2 Q05397 1/20 0.48
AKR1B1 P15121 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47

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
SCHEMBL888575 1.00 PYGB (0.65) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL9126216 1.00 PYGB (0.65) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL11435284 1.00 PYGB (0.65) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL8817489 1.00 PYGB (0.65) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL11435473 1.00 PYGB (0.65) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL11439958 1.00 PYGB (0.65) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL11440610 0.99 PYGB (0.67) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL8665848 0.93 PYGB (0.74) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL8669655 0.93 PYGB (0.74) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL8668587 0.93 PYGB (0.74) PYGBGAAEPHX2PRKCAAKT1

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
US-4228274-A 1-Substituted glycopyranosides MERCK & CO., INC. (US) 1980-10-14 US disclosed