SCHEMBL7730862

SCHEMBL7730862

CCC(=O)C(=O)OC(=O)[C@H](N)CCS

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
PTGS1 P23219 1/20 0.30
SLC7A11 Q9UPY5 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL936368 0.82 ENPEP (0.41) ANPEPENPEPPTGS1SLC7A11
SCHEMBL28302949 0.82 ENPEP (0.41) ANPEPENPEPPTGS1SLC7A11
SCHEMBL7692152 0.81 ENPEP (0.39) ANPEPENPEPPTGS1SLC7A11
SCHEMBL17165638 0.80 SLC1A3 (0.33)
SCHEMBL6809968 0.79 GSR (0.48) CPB2
SCHEMBL4439365 0.79 ANPEP (0.36) ANPEPENPEPPTGS1SLC7A11
SCHEMBL380191 0.77 ENPEP (0.35) ANPEPENPEPPTGS1SLC7A11
SCHEMBL5988945 0.76 PTGS1 (0.44) ANPEPENPEPPTGS1SLC7A11CPB2
SCHEMBL112016 0.76 CPB2 (0.44) ANPEPENPEPPTGS1SLC7A11CPB2
SCHEMBL112015 0.76 CPB2 (0.44) ANPEPENPEPPTGS1SLC7A11CPB2

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-0932689-B1 ASSAYS FOR HOMOCYSTEINE AND HOMOCYSTEINE DESULPHURASE FROM PROTOZOAN TRICHOMONASVAGINALIS UNIV GLASGOW (GB) 2002-02-27 EP disclosed