SCHEMBL10433736

SCHEMBL10433736

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
ENPEP Q07075 2/20 0.48
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
ANPEP P15144 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
GABRR1 P24046 2/20 0.40
RNPEP Q9H4A4 1/20 0.40
LAP3 P28838 3/20 0.40
FOLH1 Q04609 2/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
SLC1A1 P43005 1/20 0.37

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
SCHEMBL8270049 1.00 SLC7A5 (0.50) SLC7A5ENPEPSLC1A3SLC1A2ANPEP
SCHEMBL12257194 0.82 ENPEP (0.56) SLC7A5ENPEPSLC1A3SLC1A2GABRR1
SCHEMBL9667249 0.80 SLC1A3 (0.57) SLC7A5ENPEPSLC1A3SLC1A2ANPEP
SCHEMBL9675657 0.80 SLC1A3 (0.57) SLC7A5ENPEPSLC1A3SLC1A2ANPEP
SCHEMBL10893754 0.79 TSHR (0.45) SLC7A5SLC1A3SLC1A2ANPEPDNPEP
SCHEMBL1792414 0.77 ENPEP (0.50) SLC7A5ENPEPSLC1A3SLC1A2GABRR1
SCHEMBL8530515 0.77 CACNA2D1 (0.50) SLC7A5SLC1A3SLC1A2ANPEPDNPEP
SCHEMBL42411 0.77 CACNA2D1 (0.50) SLC7A5SLC1A3SLC1A2ANPEPDNPEP
SCHEMBL9866878 0.77 CACNA2D1 (0.50) SLC7A5SLC1A3SLC1A2ANPEPDNPEP
Bicarbonate SCHEMBL11110802 0.77 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2ANPEPDNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369141-A1 Aspartic protease inhibitors for the treatment of diseases caused by retroviruses MERCK PATENT GmbH (DE) 1990-05-23 EP disclosed