SCHEMBL4893526

SCHEMBL4893526

NC(COC(=O)CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
IDO1 P14902 2/20 0.41
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
SLC1A1 P43005 4/20 0.40
GSR P00390 2/20 0.38
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
GRM1 Q13255 2/20 0.38
GRM2 Q14416 2/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC7A5 Q01650 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38

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
SCHEMBL4893529 1.00 SLC1A5 (0.43) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL21973559 0.84 SLC1A1 (0.44) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL352049 0.82 SLC1A5 (0.43) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL3502798 0.82 SLC1A5 (0.43) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL6424789 0.80 TRPA1 (0.43) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL6424791 0.80 TRPA1 (0.43) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL2507780 0.80 NOS1 (0.44) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL21531604 0.80 SLC1A5 (0.42) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL1526149 0.80 PTGS1 (0.50) SLC1A5NOS3NOS1NOS2IDO1
SCHEMBL28884046 0.80 NOS1 (0.44) SLC1A5NOS3NOS1NOS2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402407-B1 Chemically targeted positional identification of post-translationally phosphorylated peptides CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-07-22 US disclosed
EP-0472220-A1 Bradykinin antagonists SYNTEX (U.S.A.) INC. (US) 1992-02-26 EP disclosed
US-5091367-A Fertility agents, antifertility agents, hormone inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4861755-A Peptides with vasorelaxant, natriuretic and diuretic effects a process for their preparation, agents containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-29 US disclosed