SCHEMBL9250356

SCHEMBL9250356

CC(C)(C)OC(=O)C(N)CCC(=O)OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
SLC1A1 P43005 2/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL9250360 1.00 LTA4H (0.43) LTA4HSLC1A1NOS1NOS3NOS2
SCHEMBL9250366 0.87 LTA4H (0.38) LTA4HSLC1A1NOS1NOS3NOS2
SCHEMBL17941638 0.87 LTA4H (0.40) LTA4HSLC1A1NOS1NOS3NOS2
SCHEMBL1841835 0.86 LTA4H (0.43) LTA4HSLC1A1NOS1NOS3NOS2
SCHEMBL18477 0.86 LTA4H (0.43) LTA4HSLC1A1NOS1NOS3NOS2
SCHEMBL1654337 0.86 LTA4H (0.43) LTA4HSLC1A1NOS1NOS3NOS2
Water SCHEMBL3912787 0.84 LTA4H (0.42) LTA4HSLC1A1NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL1517836 0.84 LTA4H (0.42) LTA4HSLC1A1NOS1NOS3NOS2
Hydrochloric Acid SCHEMBL4654220 0.84 LTA4H (0.42) LTA4HSLC1A1NOS1NOS3NOS2
Water SCHEMBL27596082 0.84 LTA4H (0.42) LTA4HSLC1A1NOS1NOS3NOS2

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-0637247-A1 TREATMENT OF HERPESVIRUS INFECTION KIRWOOD, Sheryl Dana (CA) 1995-02-08 EP disclosed
WO-1993021941-A1 TREATMENT OF HERPESVIRUS INFECTION ALLELIX BIOPHARMACEUTICALS INC. (CA) 1993-11-11 WO disclosed
WO-1992007871-A1 PEPTIDE-BASED INHIBITORS OF HIV REPLICATION ALLELIX BIOPHARMACEUTICALS INC. (CA) 1992-05-14 WO disclosed