SCHEMBL3267142

SCHEMBL3267142

CC(C)CCCCCCN1[C@H](CC(N)=O)[C@H](O)[C@H](O)[C@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.45
GBA1 P04062 10/20 0.38
GBA2 Q9HCG7 11/20 0.35
GAA P10253 2/20 0.35
UGCG Q16739 1/20 0.35

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
SCHEMBL12497891 0.85 MGAM (0.60) MGAMGBA1GBA2GAAUGCG
SCHEMBL2270084 0.85 MGAM (0.60) MGAMGBA1GBA2GAAUGCG
SCHEMBL2267141 0.85 MGAM (0.46) MGAMGBA1GBA2GAAUGCG
SCHEMBL2273447 0.82 MGAM (0.69) MGAMGBA1GBA2GAAUGCG
SCHEMBL12496819 0.82 MGAM (0.44) MGAMGBA1GBA2GAA
SCHEMBL2269497 0.78 MGAM (0.43) MGAMGBA1GAA
SCHEMBL2270055 0.74 MGAM (0.38) MGAMGBA1GBA2GAA
SCHEMBL15598704 0.72 MGAM (0.43) MGAMGBA1GBA2GAA
SCHEMBL12496960 0.71 MGAM (0.53) MGAMGBA1GBA2GAAUGCG
SCHEMBL12496868 0.70 MGAM (0.51) MGAMGBA1GBA2GAAUGCG

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-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 WO disclosed
WO-2010015815-A2 COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS SUMMIT CORPORATION PLC (GB) 2010-02-11 WO disclosed