SCHEMBL28217368

SCHEMBL28217368

CCCCCC(=O)C1(ON)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PYGB P11216 3/20 0.34
GJB2 P29033 1/20 0.34
PRKCA P17252 6/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL29201539 0.89 PYGB (0.36) PYGBGJB2PRKCAMAPK1
SCHEMBL28999763 0.89 PYGB (0.36) PYGBGJB2PRKCAMAPK1
SCHEMBL30382879 0.79 PRKCA (0.37) PYGBGJB2PRKCAMAPK1
SCHEMBL9095367 0.78 PYGB (0.40) PYGBPRKCAMAPK1
SCHEMBL1173142 0.77 PRKCA (0.39) PYGBPRKCAMAPK1
SCHEMBL1173608 0.77 PRKCA (0.39) PYGBPRKCAMAPK1
SCHEMBL31680347 0.76 PYGB (0.35) PYGBGJB2PRKCAMAPK1
SCHEMBL1173385 0.74 FAAH (0.40)
SCHEMBL4322129 0.72 CDK1 (0.36) PYGBPRKCAMAPK1
SCHEMBL16394741 0.72 PRKCA (0.41) PYGBPRKCA

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
CN-108079121-A A kind of chitosan Pterospermi Heterophylli spray promoting blood circulation and removing blood stasis and preparation method thereof 高杰 2018-05-29 CN disclosed