SCHEMBL7775613

SCHEMBL7775613

CC(O)CN(CC(C)O)[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 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
SCHEMBL7775608 0.84 SMN1; SMN2 (0.39) TP53
SCHEMBL7777310 0.79 OR51E2 (0.32)
SCHEMBL18526737 0.78 HTR2A (0.32) ECE1SLC1A3SLC1A2SLC1A1
SCHEMBL755816 0.78 HTR2A (0.32) ECE1SLC1A3SLC1A2SLC1A1
SCHEMBL24711911 0.76 ENPEP (0.35) TP53
SCHEMBL24711726 0.75 CYP2D6 (0.34)
SCHEMBL1548147 0.74 TDP1 (0.32) ECE1
SCHEMBL19157439 0.74 TDP1 (0.32) ECE1
SCHEMBL22383981 0.74 SLC7A5 (0.37) ECE1TP53GAAHTT
SCHEMBL197014 0.73 TDP1 (0.35) ECE1

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
EP-1127153-A1 METHOD OF PRODUCING ASPARTIC ACID DERIVATIVES Bayer Aktiengesellschaft (DE) 2001-08-29 EP disclosed
WO-2000026398-A1 METHOD OF PRODUCING ASPARTIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed