SCHEMBL6570277

SCHEMBL6570277

N[C@H](CS(=O)(=O)O)C(=O)O.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
PMP22 Q01453 2/20 0.43
KYNU Q16719 2/20 0.43
NOS2 P35228 1/20 0.43
GCLC P48506 1/20 0.41
GRIK1 P39086 4/20 0.41
GRIK2 Q13002 4/20 0.41
SLC1A1 P43005 3/20 0.41
GSR P00390 2/20 0.41
GRM1 Q13255 2/20 0.41
GRM2 Q14416 2/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC7A5 Q01650 1/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
Water SCHEMBL8816682 0.98 PTGS1 (0.42) PTGS1SLC7A11PMP22KYNUNOS2
Hydrochloric Acid SCHEMBL5063591 0.98 PTGS1 (0.42) PTGS1SLC7A11PMP22KYNUNOS2
Water SCHEMBL8816686 0.98 PTGS1 (0.42) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL30600100 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL1395227 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL180559 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL44031 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL44030 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL21518548 0.97 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
Ethylene SCHEMBL8817975 0.95 PTGS1 (0.41) PTGS1SLC7A11PMP22KYNUNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065395-B1 IMPROVED CHYMOPAPAIN AND METHOD FOR ITS PRODUCTION AND USE BOOTS-FLINT, INC. (a Delaware corp.) (US) 1988-08-24 EP claimed
EP-0065395-A2 Improved chymopapain and method for its production and use BOOTS-FLINT, INC. (a Delaware corp.) (US) 1982-11-24 EP claimed
US-6733651-B1 Method for producing a cyanide-free solution of a gold compound that is suitable for galvanic gold baths W. C. HERAEUS GMBH & CO. KG (DE) 2004-05-11 US disclosed
EP-1071724-B1 OXYGEN SCAVENGING HYDROTALCITE AND COMPOSITIONS CONTAINING SAME CRYOVAC INC (US) 2004-04-14 EP disclosed
EP-1071724-A4 OXYGEN SCAVENGING HYDROTALCITE AND COMPOSITIONS CONTAINING SAME CRYOVAC INC (US) 2002-01-16 EP disclosed
EP-1071724-A2 OXYGEN SCAVENGING HYDROTALCITE AND COMPOSITIONS CONTAINING SAME W.R. Grace & Co.-Conn. (US) 2001-01-31 EP disclosed
US-5941037-A HYDROTALCITE-LIKE MATERIAL INCLUDING SODIUM OR POTASSIUM, MAGNESIUM, ZINC, NICKEL, COPPER AND/OR COBALT AND ALUMINUM, CHROMIUM AND/OR IRON AND ANIONS OF BISULFITE, DITHIONITE, ASCORBATE THIOLATE AND PHENOLATE; FOOD PACKAGING W. R. GRACE & CO.-CONN (US) 1999-08-24 US disclosed
WO-1999027005-A2 OXYGEN SCAVENGING HYDROTALCITE AND COMPOSITIONS CONTAINING SAME W.R. GRACE & CO.-CONN. (US) 1999-06-03 WO disclosed
US-5646022-A Process for the production of gamma nonalactones in natural form SAN GIORGIO FLAVORS S.P.A. (IT) 1997-07-08 US disclosed
US-4374926-A ION EXCHANGING ON CARBOXYMETHYL-SUBSTITUTED CROSSLINKED AGAROSE, ELUTION, INORGANIC SALT, FREEZE DRYING SMITH LABORATORIES, INC. (US) 1983-02-22 US disclosed
EP-0065395-A2 Improved chymopapain and method for its production and use BOOTS-FLINT, INC. (a Delaware corp.) (US) 1982-11-24 EP disclosed