SCHEMBL8668587

SCHEMBL8668587

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

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.74
GAA P10253 1/20 0.69
EPHX2 P34913 1/20 0.55
PRKCA P17252 1/20 0.53
AKT1 P31749 1/20 0.53
PTK2 Q05397 1/20 0.53
AKR1B1 P15121 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49

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
SCHEMBL8669655 1.00 PYGB (0.74) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL8668278 1.00 PYGB (0.74) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL8665848 1.00 PYGB (0.74) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL2931840 0.94 PYGB (0.67) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL2926705 0.94 PYGB (0.67) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL11439958 0.93 PYGB (0.65) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL11439690 0.93 PYGB (0.65) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL534896 0.93 PYGB (0.78) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL13745287 0.93 PYGB (0.78) PYGBGAAEPHX2PRKCAAKT1
SCHEMBL8817489 0.93 PYGB (0.65) 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-5705635-A BOLAFORM GLYCOLIPID JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1998-01-06 US disclosed