SCHEMBL9067216

SCHEMBL9067216

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.54
GCLC P48506 1/20 0.53
GRIK1 P39086 4/20 0.47
GRIK2 Q13002 3/20 0.47
SLC1A2 P43004 3/20 0.47
SLC1A1 P43005 3/20 0.47
CA2 P00918 1/20 0.46
SLC1A3 P43003 2/20 0.44
PMP22 Q01453 1/20 0.43
CES1 P23141 5/20 0.42
FAAH O00519 3/20 0.42
CES2 O00748 2/20 0.42
TP53 P04637 1/20 0.40
DDAH1 O94760 1/20 0.38

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
SCHEMBL6646261 0.98 NOS2 (0.53) NOS2GCLCGRIK1GRIK2SLC1A2
SCHEMBL27967067 0.81 NOS2 (0.53) NOS2GCLCGRIK1GRIK2SLC1A2
SCHEMBL28583479 0.81 NOS2 (0.53) NOS2GCLCGRIK1GRIK2SLC1A2
SCHEMBL13900351 0.80 NOS2 (0.55) NOS2GCLCGRIK1GRIK2SLC1A2
SCHEMBL8951292 0.80 NOS2 (0.55) NOS2GCLCGRIK1GRIK2SLC1A2
SCHEMBL6906378 0.79 ACE2 (0.47) GCLCCA2CES1FAAHCES2
SCHEMBL755869 0.79 GCLC (0.59) NOS2GCLCGRIK1GRIK2SLC1A2
SCHEMBL11738674 0.79 GCLC (0.59) NOS2GCLCGRIK1GRIK2SLC1A2
SCHEMBL27926048 0.78 GCLC (0.67) NOS2GCLCGRIK1GRIK2SLC1A2
SCHEMBL6671787 0.78 FAAH (0.42) GCLCCA2CES1FAAHCES2

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
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US disclosed
EP-0581907-A4 1994-04-06 EP disclosed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP disclosed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO disclosed