SCHEMBL10683242

SCHEMBL10683242

NCCCSCCC(N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 11/20 0.68
GSR P00390 1/20 0.61
BHMT2 Q9H2M3 1/20 0.59
NOS2 P35228 2/20 0.54
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54

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
SCHEMBL7272086 1.00 BHMT (0.68) BHMTGSRBHMT2NOS2NOS3
SCHEMBL7272081 1.00 BHMT (0.68) BHMTGSRBHMT2NOS2NOS3
SCHEMBL19800862 0.90 BHMT (0.75) BHMTGSRBHMT2NOS2NOS3
SCHEMBL19800864 0.90 BHMT (0.75) BHMTGSRBHMT2NOS2NOS3
SCHEMBL7271061 0.88 BHMT (0.66) BHMTGSRBHMT2NOS2NOS3
SCHEMBL7271063 0.88 BHMT (0.66) BHMTGSRBHMT2NOS2NOS3
SCHEMBL10683004 0.88 BHMT (0.66) BHMTGSRBHMT2NOS2NOS3
SCHEMBL1031686 0.87 BHMT (0.76) BHMTGSRBHMT2NOS2NOS3
SCHEMBL1031684 0.87 BHMT (0.76) BHMTGSRBHMT2NOS2NOS3
SCHEMBL21851894 0.87 BHMT (0.76) BHMTGSRBHMT2NOS2NOS3

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 2 patents. 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
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed