SCHEMBL686409

SCHEMBL686409

COC1(O)C=CC(CC(N)C(=O)O)C=C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SLC7A5 Q01650 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC1A1 P43005 2/20 0.31
PTGS1 P23219 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31
GFPT1 Q06210 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30

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
SCHEMBL687402 1.00 IDO1 (0.33) IDO1TDO2SLC7A5PMP22SLC1A1
SCHEMBL7591393 1.00 IDO1 (0.33) IDO1TDO2SLC7A5PMP22SLC1A1
SCHEMBL7375800 0.81 IDO1 (0.36) IDO1TDO2SLC7A5SLC1A1PTGS1
SCHEMBL7200966 0.80 IDO1 (0.36) IDO1TDO2SLC7A5SLC1A1PTGS1
SCHEMBL15156025 0.78 IDO1 (0.35) IDO1TDO2SLC7A5SLC1A1PTGS1
SCHEMBL1614569 0.78 IDO1 (0.35) IDO1TDO2SLC7A5SLC1A1PTGS1
SCHEMBL7241021 0.78 IDO1 (0.35) IDO1TDO2SLC7A5SLC1A1PTGS1
SCHEMBL4458615 0.77 IDO1 (0.37) IDO1TDO2SLC7A5SLC1A1PTGS1
SCHEMBL125177 0.76 SLC1A3 (0.34) IDO1TDO2SLC1A1SLC1A3SLC1A2
SCHEMBL13857821 0.76 SLC1A3 (0.34) IDO1TDO2SLC1A1SLC1A3SLC1A2

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-1572725-B1 CHI-CONOTOXIN PEPTIDES HAVING A N-TERMINAL PYROGLUTAMIC ACID XENOME LTD (AU) 2012-02-29 EP claimed
EP-1572725-B1 CHI-CONOTOXIN PEPTIDES HAVING A N-TERMINAL PYROGLUTAMIC ACID XENOME LTD (AU) 2012-02-29 EP disclosed