SCHEMBL9102865

SCHEMBL9102865

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
SLC1A3 P43003 5/20 0.52
SLC1A2 P43004 5/20 0.52
SLC1A1 P43005 5/20 0.52
GRIK1 P39086 14/20 0.52
GRIK2 Q13002 11/20 0.52
GRIA2 P42262 2/20 0.50
GRIA4 P48058 2/20 0.50
GRIK3 Q13003 2/20 0.50
GRIK5 Q16478 2/20 0.50
GRIA1 P42261 1/20 0.50
GRM1 Q13255 1/20 0.43
GRM2 Q14416 1/20 0.43

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
SCHEMBL2231422 1.00 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL20262105 0.80 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL13176553 0.80 SLC7A5 (0.33) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL18780397 0.80 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL30887303 0.80 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL20262104 0.80 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Leucine SCHEMBL13278835 0.78 SLC7A5 (0.78) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Leucine SCHEMBL13278827 0.78 SLC7A5 (0.78) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL7460993 0.78 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL9101300 0.78 MEN1 (0.35) SLC7A5SLC1A1GRIK1GRIK2

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
US-5502036-A VIRICIDES BIOMEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-03-26 US disclosed
EP-0411334-A1 Antiherpes pentapeptide derivatives having a substituted aspartic acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 EP disclosed