SCHEMBL9409695

SCHEMBL9409695

CCCCC(CO)N1CC(O)[C@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GLB1 P16278 1/20 0.39
GUSB P08236 2/20 0.37
GBA2 Q9HCG7 10/20 0.37
GAA P10253 4/20 0.37
GBA1 P04062 4/20 0.37
UGCG Q16739 3/20 0.37
MGAM O43451 2/20 0.37
SI P14410 2/20 0.37
AGL P35573 2/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20093512 0.83 GUSB (0.46) GLB1GUSBGBA2GAAGBA1
SCHEMBL5975144 0.78 HRH3 (0.41) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL20988169 0.75 GLB1 (0.32) GLB1GUSBGAAGBA1
SCHEMBL20988006 0.75 GLB1 (0.32) GLB1GUSBGAAGBA1
SCHEMBL20988070 0.75 GLB1 (0.32) GLB1GUSBGAAGBA1
SCHEMBL22962306 0.72 GUSB (0.40) GLB1GUSBGBA2GAAGBA1
SCHEMBL22962308 0.72 GUSB (0.40) GLB1GUSBGBA2GAAGBA1
SCHEMBL16841659 0.71 GUSB (0.46) GLB1GUSBGBA2GAAGBA1
SCHEMBL18612459 0.70 GUSB (0.38) GUSBGBA2GAAGBA1UGCG
SCHEMBL6495574 0.68 LMNA (0.42) LMNA

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
EP-0624652-A1 Process for producing N-substituted polyhydroxy nitrogen-containing heterocycles MONSANTO COMPANY (US) 1994-11-17 EP claimed