SCHEMBL19800778

SCHEMBL19800778

N[C@@H](CCSC/C=C/c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 7/20 0.54
▸ GRIK2 Q13002 6/20 0.54
▸ BHMT Q93088 4/20 0.44
▸ PAM P19021 1/20 0.44
▸ BHMT2 Q9H2M3 1/20 0.43
▸ KIF11 P52732 3/20 0.42
▸ GRIK3 Q13003 1/20 0.42

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
SCHEMBL19800782 1.00 GRIK1 (0.54) GRIK1GRIK2BHMTPAMBHMT2
SCHEMBL11865270 0.85 GRIK1 (0.56) GRIK1GRIK2PAMKIF11GRIK3
SCHEMBL11865263 0.85 GRIK1 (0.56) GRIK1GRIK2PAMKIF11GRIK3
SCHEMBL11865255 0.85 GRIK1 (0.56) GRIK1GRIK2PAMKIF11GRIK3
SCHEMBL19800485 0.81 BHMT (0.58) GRIK1GRIK2BHMTBHMT2GRIK3
SCHEMBL19800483 0.81 BHMT (0.58) GRIK1GRIK2BHMTBHMT2GRIK3
SCHEMBL10990326 0.80 PAM (0.55) GRIK1GRIK2PAM
SCHEMBL1865554 0.76 GRIK1 (0.73) GRIK1GRIK2PAMGRIK3
SCHEMBL1865552 0.76 GRIK1 (0.73) GRIK1GRIK2PAMGRIK3
SCHEMBL504608 0.76 GRIK1 (0.73) GRIK1GRIK2PAMGRIK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879043-B1 Synthesis of non-natural cofactor analogs of S-adenosyl-L-methionine using methionine adenosyltransferase UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2018-01-30 — — US disclosed
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