SCHEMBL4433960

SCHEMBL4433960

CCCC(CC(C)C)N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.50
GBA2 Q9HCG7 14/20 0.47
GBA1 P04062 4/20 0.47
UGCG Q16739 3/20 0.47
MGAM O43451 3/20 0.47
SI P14410 2/20 0.47
AGL P35573 2/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2790138 0.87 GAA (0.53) GAAGBA2GBA1UGCGMGAM
SCHEMBL466539 0.84 GBA2 (0.55) GAAGBA2GBA1UGCGMGAM
SCHEMBL3021725 0.81 GAA (0.56) GAAGBA2GBA1UGCGMGAM
SCHEMBL3017615 0.76 GBA2 (0.56) GAAGBA2GBA1UGCGMGAM
SCHEMBL14319851 0.73 GBA2 (0.59) GAAGBA2GBA1UGCGMGAM
SCHEMBL6134836 0.71 AGL (0.48) GAAGBA2GBA1UGCGMGAM
SCHEMBL12589798 0.71 GAA (0.50) GAAGBA2GBA1UGCGMGAM
SCHEMBL6135767 0.71 AGL (0.48) GAAGBA2GBA1UGCGMGAM
SCHEMBL6135319 0.71 AGL (0.48) GAAGBA2GBA1UGCGMGAM
SCHEMBL2787976 0.71 GAA (0.63) GAAGBA2GBA1UGCGMGAM

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
EP-2049126-A2 LIPOSOME TREATMENT OF VIRAL INFECTIONS United Therapeutics Corporation (US) 2009-04-22 EP disclosed
WO-2008088581-A2 LIPOSOME TREATMENT OF VIRAL INFECTIONS UNITED THERAPEUTICS CORPORATION (US) 2008-07-24 WO disclosed