SCHEMBL7375800

SCHEMBL7375800

NC(CC1C=CC(O)(O)C=C1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
PTGS1 P23219 2/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
GGT1 P19440 4/20 0.35
SLC7A5 Q01650 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL7200966 0.87 IDO1 (0.36) IDO1TDO2PTGS1SLC7A11SLC7A5
SCHEMBL15156025 0.85 IDO1 (0.35) IDO1TDO2PTGS1SLC7A11SLC7A5
SCHEMBL1614569 0.85 IDO1 (0.35) IDO1TDO2PTGS1SLC7A11SLC7A5
SCHEMBL7241021 0.85 IDO1 (0.35) IDO1TDO2PTGS1SLC7A11SLC7A5
SCHEMBL4458615 0.84 IDO1 (0.37) IDO1TDO2PTGS1SLC7A11SLC7A5
SCHEMBL7371563 0.82 PMP22 (0.36) IDO1TDO2PTGS1SLC7A11SLC7A5
SCHEMBL686409 0.81 IDO1 (0.33) IDO1TDO2PTGS1SLC7A11SLC7A5
SCHEMBL5816605 0.81 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL687402 0.81 IDO1 (0.33) IDO1TDO2PTGS1SLC7A11SLC7A5
SCHEMBL7591393 0.81 IDO1 (0.33) IDO1TDO2PTGS1SLC7A11SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722436-A4 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1996-11-20 EP disclosed
EP-0722436-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed