SCHEMBL8825872

SCHEMBL8825872

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 2/20 0.56
GCLC P48506 2/20 0.53
BHMT Q93088 2/20 0.40
BHMT2 Q9H2M3 1/20 0.40
SLC1A3 P43003 4/20 0.38
SLC1A2 P43004 4/20 0.38
SLC1A1 P43005 4/20 0.38
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
GSR P00390 2/20 0.37
SLC7A5 Q01650 1/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37

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
SCHEMBL8825844 0.85 PMP22 (0.58) PMP22GCLCSLC1A3SLC1A2SLC1A1
SCHEMBL9163433 0.84 PMP22 (0.61) PMP22GCLCBHMTBHMT2SLC1A3
SCHEMBL25230158 0.83 GCLC (0.71) PMP22GCLCSLC1A3SLC1A2SLC1A1
SCHEMBL30352867 0.83 GCLC (0.71) PMP22GCLCSLC1A3SLC1A2SLC1A1
SCHEMBL25230156 0.83 GCLC (0.71) PMP22GCLCSLC1A3SLC1A2SLC1A1
SCHEMBL840666 0.82 PMP22 (0.68) PMP22GCLCSLC1A3SLC1A2SLC1A1
SCHEMBL13745292 0.82 PMP22 (0.68) PMP22GCLCSLC1A3SLC1A2SLC1A1
SCHEMBL5904143 0.79 PMP22 (0.63) PMP22GCLCSLC1A3SLC1A2SLC1A1
SCHEMBL13746032 0.79 PMP22 (0.63) PMP22GCLCSLC1A3SLC1A2SLC1A1
SCHEMBL2102135 0.79 PMP22 (0.63) PMP22GCLCBHMTBHMT2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5695751-A ADMINISTERING L-AMINO ACID OXIDASE TO REDUCE PLASMA LEVEL OF LARGE AMINO ACIDS TO ALLOW INCREASED TRANSPORT OF LARGE AMINO ACID DRUGS ACROSS BLOOD BRAIN BARRIER CORNELL RESEARCH FOUNDATION, INC. (US) 1997-12-09 US disclosed
US-5476966-A S-substituted homocysteine sulfoximines CORNELL RESEARCH FOUNDATION, INC. (US) 1995-12-19 US disclosed
WO-1989009205-A1 METHODS FOR DEPLETION OF GLUTATHIONE CORNELL RESEARCH FOUNDATION, INC. (US) 1989-10-05 WO disclosed