SCHEMBL14125538

SCHEMBL14125538

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 11/20 0.69
BHMT2 Q9H2M3 1/20 0.56
NOS2 P35228 2/20 0.51
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GSR P00390 1/20 0.45
CYP1A2 P05177 1/20 0.45
GRIK1 P39086 1/20 0.45
GRM5 P41594 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
GRIA4 P48058 1/20 0.45

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
SCHEMBL14125660 1.00 BHMT (0.69) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL14125658 1.00 BHMT (0.69) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1038668 0.85 BHMT (0.92) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL6664390 0.85 BHMT (0.71) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1038667 0.85 BHMT (0.92) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL9056803 0.85 BHMT (0.92) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031686 0.84 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL21851894 0.84 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL1031684 0.84 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1
SCHEMBL27791649 0.84 BHMT (0.76) BHMTBHMT2NOS2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050004-A1 USES OF AND METHODS OF TREATMENT WITH CYSTATHIONINE UNIV COLORADO REGENTS (US) 2018-02-22 US claimed
US-20200352889-A1 CYSTATHIONINE COMPOSITIONS AND METHODS OF TREATMENT FOR HEALTH CONDITIONS MCMASTER UNIVERSITY (CA) 2020-11-12 US disclosed
US-20180050004-A1 USES OF AND METHODS OF TREATMENT WITH CYSTATHIONINE UNIV COLORADO REGENTS (US) 2018-02-22 US disclosed
US-20140163104-A1 USES OF AND METHODS OF TREATMENT WITH CYSTATHIONINE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2014-06-12 US disclosed
WO-2012167092-A2 USES OF AND METHODS OF TREATMENT WITH CYSTATHIONINE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-12-06 WO disclosed
WO-2012167021-A2 HYPERFORIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-12-06 WO disclosed