SCHEMBL8027698

SCHEMBL8027698

CC(NC(CO)(CO)CO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
TP53 P04637 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31
FOLH1 Q04609 2/20 0.30
NAALAD2 Q9Y3Q0 2/20 0.30
ALDH1A1 P00352 1/20 0.30
RNPEP Q9H4A4 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
SCHEMBL8027704 1.00 MME (0.34) MMEACECPA1ACE2TP53
SCHEMBL23466905 0.81 MME (0.34) MMEACECPA1ACE2TP53
SCHEMBL11519870 0.79 MME (0.33) MMEACECPA1ACE2TP53
SCHEMBL43589 0.72 SLC6A3 (0.44) MMEACECPA1ACE2TP53
SCHEMBL289160 0.72 SLC6A3 (0.44) MMEACECPA1ACE2TP53
SCHEMBL43590 0.72 SLC6A3 (0.44) MMEACECPA1ACE2TP53
SCHEMBL1716976 0.72 SLC6A3 (0.44) MMEACECPA1ACE2TP53
SCHEMBL30255513 0.71 SLC7A5 (0.33) SLC7A5ALDH1A1
SCHEMBL525806 0.71 TSHR (0.32)
SCHEMBL180064 0.70 TP53 (0.36) MMEACECPA1ACE2TP53

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-0569132-B1 Improvements in radiolabelling ANORMED INC (CA) 2000-03-01 EP disclosed
US-5350837-A Complexes with 99m Tc suitable for radiolabelling monoclonal antibodies or other macro molecules JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1994-09-27 US disclosed
EP-0569132-A1 Improvements in radiolabelling JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1993-11-10 EP disclosed