SCHEMBL6684752

SCHEMBL6684752

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.57
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
TP53 P04637 1/20 0.38
GLO1 Q04760 1/20 0.36
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
BHMT Q93088 1/20 0.33
BHMT2 Q9H2M3 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
ENPEP Q07075 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL2313042 0.92 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL342124 0.81
SCHEMBL2451003 0.81
SCHEMBL16490238 0.79
SCHEMBL16300972 0.79
Valine SCHEMBL23777447 0.77 SLC7A5 (0.94) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL9439900 0.77 SLC7A5 (0.94) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL10775583 0.77 SLC7A5 (0.94) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL3402665 0.77 SLC7A5 (0.94) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Hydrochloric Acid SCHEMBL7200248 0.77

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-0852502-B1 LANTIBIOTIC MUTANTS AND CHIMERAS OF ENHANCED STABILITY AND ACTIVITY UNIV MARYLAND (US) 2004-11-17 EP disclosed
US-6153405-A NUCLEIC ACID WHICH ENCODES A LEADER SEQUENCE FROM NISIN AND/OR SUBTILIN AND A LANTIBIOTIC; FOR RECOMBINANT PRODUCTION OF ANTIBIOTICS THE UNIVERSITY OF MARYLAND (US) 2000-11-28 US disclosed
US-5861275-A GENE-ENCODED ANTIMICROBIAL PEPTIDES; POLYNUCLEIC ACIDS WHICH ENCODE A CHIMERIC OR MUTANT LANTIBIOTIC THE UNIVERSITY OF MARYLAND (US) 1999-01-19 US disclosed