SCHEMBL9021689

SCHEMBL9021689

CCCCCCCCN(CC(=O)O)C(=O)[C@@H](N)CS

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC7A11 Q9UPY5 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
TSHR P16473 2/20 0.35
GPR84 Q9NQS5 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
TLR2 O60603 1/20 0.35
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35
FABP4 P15090 1/20 0.35

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
SCHEMBL9021692 1.00 GRIK1 (0.36) GRIK1GRIK2PTGS1SLC7A11KMT2A
SCHEMBL6235454 0.98 PTGS1 (0.37) GRIK1GRIK2PTGS1SLC7A11
SCHEMBL30906927 0.81 FAAH (0.46) PTGS1KMT2AMAPTPPARGPPARD
SCHEMBL4635625 0.80 PTGS1 (0.50) PTGS1SLC7A11
SCHEMBL4635622 0.80 PTGS1 (0.50) PTGS1SLC7A11
SCHEMBL30861880 0.79 ALDH1A1 (0.40) GRIK1GRIK2PTGS1KMT2AMAPT
SCHEMBL9023977 0.79 PRSS1 (0.40) MAPT
SCHEMBL3806233 0.78 GPR84 (0.44) GRIK1GRIK2KMT2APPARGPPARD
SCHEMBL7260987 0.78 GPR84 (0.44) GRIK1GRIK2KMT2APPARGPPARD
SCHEMBL27902175 0.78 GPR84 (0.44) GRIK1GRIK2KMT2APPARGPPARD

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-0720620-A1 GLUTATHIONE ANALOGS AND PARALOG PANELS COMPRISING GLUTATHIONE MIMICS TERRAPIN TECHNOLOGIES, INC. (US) 1996-07-10 EP disclosed
WO-1995008563-A1 GLUTATHIONE ANALOGS AND PARALOG PANELS COMPRISING GLUTATHIONE MIMICS TERRAPIN TECHNOLOGIES, INC. (US) 1995-03-30 WO disclosed