SCHEMBL20813617

SCHEMBL20813617

CCOC1OC[C@H](O)[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
ASGR1 P07306 7/20 0.40
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.39
CD69 Q07108 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LGALS8 O00214 1/20 0.34
LGALS3 P17931 1/20 0.34
LGALS4 P56470 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL23539503 0.76 TYR (0.36) THRBCA1CA2CA9
SCHEMBL2040405 0.76 TYR (0.36) THRBCA1CA2CA9
SCHEMBL2040409 0.76 TYR (0.36) THRBCA1CA2CA9
SCHEMBL2040806 0.76 TYR (0.36) THRBCA1CA2CA9
SCHEMBL14536630 0.76 TYR (0.36) THRBCA1CA2CA9
SCHEMBL22461921 0.75 ALDH1A1 (0.35) MAPK1ASGR1ALDH1A1THRBCD69
SCHEMBL15333982 0.75 ASGR1 (0.39) MAPK1ASGR1CD69CA1CA2
SCHEMBL30400153 0.75 ASGR1 (0.39) MAPK1ASGR1CD69CA1CA2
SCHEMBL468788 0.75 ASGR1 (0.39) MAPK1ASGR1CD69CA1CA2
SCHEMBL468787 0.75 ASGR1 (0.39) MAPK1ASGR1CD69CA1CA2

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
WO-2019051257-A2 METHODS FOR TREATING HEPATITIS B INFECTIONS ARBUTUS BIOPHARMA CORPORATION (CA) 2019-03-14 WO disclosed