SCHEMBL7023567

SCHEMBL7023567

COC(CCCC(N)C(N)=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 4/20 0.39
NOS2 P35228 9/20 0.35
NOS1 P29475 8/20 0.35
NOS3 P29474 5/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
GSR P00390 1/20 0.33
BLM P54132 1/20 0.33
GLA P06280 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LTA4H P09960 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL2683497 0.83 GSR (0.52) DDAH1NOS2NOS1NOS3CYP2C19
SCHEMBL2683210 0.83 GSR (0.52) DDAH1NOS2NOS1NOS3CYP2C19
SCHEMBL198050 0.83 GSR (0.52) DDAH1NOS2NOS1NOS3CYP2C19
SCHEMBL8051398 0.82 GSR (0.44) DDAH1NOS2NOS1NOS3CYP2C19
SCHEMBL5665704 0.82 CA1 (0.37) DDAH1GSRCA1CA2LTA4H
SCHEMBL5665693 0.82 CA1 (0.37) DDAH1GSRCA1CA2LTA4H
SCHEMBL7026501 0.80 NOS1 (0.39) DDAH1NOS2NOS1NOS3CYP2C19
SCHEMBL30609780 0.79 BLM (0.35) BLMCA1CA2LTA4H
SCHEMBL9432357 0.79 CA1 (0.41) KMT2ABLMCA1CA2
SCHEMBL13578960 0.77 DDAH1 (0.47) DDAH1NOS2NOS1NOS3CYP2C19

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
EP-0972845-B1 Method for producing L-Allysine acetal MITSUBISHI GAS CHEMICAL CO (JP) 2003-02-05 EP disclosed
US-6174711-B1 REACTING D,L-ALLYSINAMIDE ACETAL WITH CELLS OF MICROORGANISM OR TREATED CELL PRODUCT ABLE TO STEREOSELECTIVELY HYDROLYZE THE L-FORM MITSUBISHI GAS CHEMICAL COMPANY (JP) 2001-01-16 US disclosed
EP-0972845-A1 Method for producing L-Allysine acetal MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-01-19 EP disclosed