SCHEMBL6135711

SCHEMBL6135711

CC[C@H](CN(O)C=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDF Q9HBH1 2/20 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
SCHEMBL6135706 1.00 CA2 (0.42) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL1191020 0.81 CA2 (0.55) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL3319613 0.81 CA2 (0.55) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL4956784 0.81 CA2 (0.55) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL4318257 0.80 GRIK1 (0.49) CA2MAPK1SLC1A2SLC1A1
SCHEMBL8053095 0.78 GRIK1 (0.50) CA2MAPK1SLC1A2SLC1A1
SCHEMBL8053923 0.78 GRIK1 (0.50) CA2MAPK1SLC1A2SLC1A1
SCHEMBL29887733 0.78 CA2 (0.48) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL1373680 0.78 FOLH1 (0.52)
SCHEMBL4954261 0.76 GRIK1 (0.47) PDF

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US claimed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP claimed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP claimed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO claimed
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US disclosed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP disclosed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP disclosed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO disclosed