SCHEMBL3265485

SCHEMBL3265485

OCC(O)C(O)C(O)[C@@H]1NC[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
GANAB Q14697 2/20 0.46
CYP2C19 P33261 2/20 0.40
GLB1 P16278 1/20 0.40
HIF1A Q16665 1/20 0.40
MGAM O43451 3/20 0.39
GAA P10253 3/20 0.39
AGL P35573 2/20 0.39
SI P14410 2/20 0.39
GLA P06280 2/20 0.39
PYGL P06737 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.39
GBA2 Q9HCG7 2/20 0.38
FUCA1 P04066 2/20 0.38
GBA3 Q9H227 2/20 0.38
MAN2B1 O00754 1/20 0.38
MAN2B2 Q9Y2E5 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL2268343 1.00 GBA1 (0.46) GBA1GANABCYP2C19GLB1HIF1A
Pyrrolidine SCHEMBL3382491 0.91 GBA1 (0.39) GBA1GANABCYP2C19MGAMGAA
SCHEMBL19328384 0.76 GBA1 (0.62) GBA1GANABGLB1MGAMGAA
SCHEMBL2265142 0.76 GBA1 (0.62) GBA1GANABGLB1MGAMGAA
SCHEMBL14246910 0.76 GBA1 (0.62) GBA1GANABGLB1MGAMGAA
SCHEMBL23531404 0.76 GBA1 (0.62) GBA1GANABGLB1MGAMGAA
SCHEMBL9495785 0.76 GBA1 (0.62) GBA1GANABGLB1MGAMGAA
SCHEMBL7032907 0.76 GBA1 (0.62) GBA1GANABGLB1MGAMGAA
SCHEMBL612200 0.76 GBA1 (0.62) GBA1GANABGLB1MGAMGAA
SCHEMBL2434766 0.76 GBA1 (0.62) GBA1GANABGLB1MGAMGAA

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-2010029313-A1 ANTIINFECTIVE COMPOUNDS SUMMIT CORPORATION PLC. (GB) 2010-03-18 WO disclosed