SCHEMBL730077

SCHEMBL730077

CCCCN1C(O)CNCC1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.44
GLB1 P16278 1/20 0.41
GBA1 P04062 4/20 0.36
GUSB P08236 2/20 0.34
GBA2 Q9HCG7 7/20 0.34
UGCG Q16739 3/20 0.34
GAA P10253 3/20 0.34
SI P14410 2/20 0.34
AGL P35573 2/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3105701 0.76 MGAM (0.41) MGAMGLB1GBA1GUSBGBA2
SCHEMBL28030708 0.72 GBA2 (0.40) MGAMGLB1GBA1GBA2UGCG
Hexane SCHEMBL27533368 0.71 GBA1 (0.47) GLB1GBA1GUSBGBA2GAA
SCHEMBL23559839 0.70 FUCA1 (0.37) GLB1GBA1GBA2GAA
SCHEMBL3093107 0.70 GUSB (0.38) MGAMGBA1GUSBGBA2GAA
SCHEMBL3097827 0.68 GUSB (0.41) GBA1GUSBGBA2GAA
SCHEMBL28068690 0.67 GBA1 (0.41) GBA1GBA2UGCGGAA
Heptane SCHEMBL28061224 0.67 GBA1 (0.48) GBA1GUSBGAA
SCHEMBL11843416 0.65 GLB1 (0.45) MGAMGLB1GBA1GUSBGBA2
SCHEMBL11848338 0.65 GLB1 (0.45) MGAMGLB1GBA1GUSBGBA2

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
US-8137852-B2 Liquid electrolyte UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20070269710-A1 Liquid Electrolyte UBE INDUSTRIES, LTD. (JP) 2007-11-22 US disclosed