SCHEMBL7864753

SCHEMBL7864753

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.50
SLC1A1 P43005 4/20 0.50
SLC1A3 P43003 3/20 0.50
CA2 P00918 2/20 0.48
MAPK1 P28482 1/20 0.48
GRIK1 P39086 3/20 0.44
GRIK2 Q13002 3/20 0.44
GLO1 Q04760 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
CA1 P00915 1/20 0.42
FFAR1 O14842 1/20 0.42
SLC7A5 Q01650 1/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
DPP7 Q9UHL4 1/20 0.40
SLC15A1 P46059 1/20 0.40

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
SCHEMBL29126191 1.00 SLC1A2 (0.50) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL8694833 0.86 CHRM1 (0.48) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL8694838 0.86 CHRM1 (0.48) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL5615751 0.84 SLC1A2 (0.49) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL152526 0.84 CA2 (0.58) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL9203696 0.83 CA2 (0.50) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL7202198 0.83 SLC1A2 (0.50) SLC1A2SLC1A1SLC1A3CA2MAPK1
SCHEMBL28897084 0.82 GRIK1 (0.49) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
Ammonia Solution, Strong SCHEMBL5355288 0.81 CA2 (0.56) SLC1A2SLC1A1SLC1A3CA2MAPK1
Ammonia Solution, Strong SCHEMBL5355285 0.81 CA2 (0.56) SLC1A2SLC1A1SLC1A3CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1204889-C Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2005-06-08 CN disclosed
US-6313095-B1 HERPES VIRAL RIBONUCLEOTIDE REDUCTASE INHIBITORS BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 2001-11-06 US disclosed
US-6197750-B1 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS IDUN PHARMACEUTICALS, INC. 2001-03-06 US disclosed
CN-1125575-A Adhesion receptor antagonists MERCK PATENT GMBH (DE) 1996-07-03 CN disclosed
US-5484771-A RIBONUCLEOTIDE REDUCTASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-01-16 US disclosed
EP-0411333-B1 Antiherpes tetrapeptide derivatives having a substituted aspartic acid side chain BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-05-31 EP disclosed
EP-0461546-B1 Antiherpes peptide derivatives having a 1,4-dioxo-C4 N-terminus BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-03-22 EP disclosed
EP-0461546-A2 Antiherpes peptide derivatives having a 1,4-dioxo-C4 N-terminus BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-12-18 EP disclosed
EP-0411333-A1 Antiherpes tetrapeptide derivatives having a substituted aspartic acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 EP disclosed