SCHEMBL7761798

SCHEMBL7761798

CCCC[C@@H](C(=O)O)N(O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC1A3 P43003 1/20 0.40
CTSK P43235 9/20 0.39
CTSS P25774 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
CA1 P00915 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
SCHEMBL66399 0.84 CA2 (0.42) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL66398 0.84 CA2 (0.42) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL29696200 0.84 CA2 (0.42) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL8460619 0.79 GRIK1 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL31407436 0.79 GRIK1 (0.41) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL25177958 0.78 GRIK1 (0.43) CA2SLC1A2SLC1A1MEN1KMT2A
SCHEMBL6078689 0.77 AAK1 (0.38) CA2SLC1A2SLC1A3CTSKCTSS
SCHEMBL15876012 0.76 CA2 (0.35) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL2595589 0.76 CA2 (0.35) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL7027023 0.75 CA2 (0.45) CA2MAPK1SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 EP claimed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO claimed
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 EP disclosed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO disclosed