SCHEMBL9433207

SCHEMBL9433207

NC(CSSC[C@@H](C(=O)O)N(C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
NOS2 P35228 3/20 0.38
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
GRIK1 P39086 3/20 0.35
GRIK2 Q13002 3/20 0.35
GRM1 Q13255 2/20 0.35
GRM2 Q14416 2/20 0.35
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KIF11 P52732 4/20 0.35
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
SLC7A5 Q01650 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33

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
SCHEMBL14645243 0.87 NOS2 (0.40) ARG1ARG2NOS2NOS1NOS3
SCHEMBL14645245 0.87 NOS2 (0.40) ARG1ARG2NOS2NOS1NOS3
SCHEMBL14645246 0.87 NOS2 (0.40) ARG1ARG2NOS2NOS1NOS3
SCHEMBL111220 0.85 NOS2 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL111218 0.85 NOS2 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL7773882 0.85 NOS2 (0.42) ARG1ARG2NOS2NOS1NOS3
SCHEMBL111219 0.85 NOS2 (0.42) ARG1ARG2NOS2NOS1NOS3
Hydrochloric Acid SCHEMBL28613072 0.84 NOS2 (0.41) ARG1ARG2NOS2NOS1NOS3
SCHEMBL25177325 0.82 GRIK1 (0.35) ARG1ARG2NOS2NOS1NOS3
SCHEMBL21979221 0.82 GRIK1 (0.35) ARG1ARG2NOS2NOS1NOS3

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-5298647-A Aromatic compounds of amide structure derived from aminobenzoic acids, hydroxy-benzoic acids, cinnamic acids, urocanic acids and benzimidazoles, absorbing UVB and/or UVA ROBERT DOMINIQUE (FR) 1994-03-29 US disclosed
EP-0235064-B1 AROMATIC COMPOUNDS WITH AMIDE STRUCTURE, DERIVATIVES OF AMINO-BENZOIC ACIDS, HYDROXYBENZOIC ACIDS, CINNAMIC ACIDS, UROCANIC ACIDS AND BENZIMIDAZOLES, ABSORBING UVB AND/OR UVA Robert, Dominique (FR) 1992-06-17 EP disclosed
EP-0235064-A2 Aromatic compounds with amide structure, derivatives of amino-benzoic acids, hydroxybenzoic acids, cinnamic acids, urocanic acids and benzimidazoles, absorbing UVB and/or UVA Robert, Dominique (FR) 1987-09-02 EP disclosed
WO-1987004923-A2 AROMATIC AMIDES ABSORBING THE U.V. ROBERT DOMINIQUE 1987-08-27 WO disclosed