SCHEMBL5688404

SCHEMBL5688404

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
NAAA Q02083 1/20 0.33
CPB2 Q96IY4 1/20 0.33
ENPEP Q07075 6/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL2873837 0.84 PTGS1 (0.46) PTGS1SLC7A11ALDH1A1ENPEPANPEP
SCHEMBL9763734 0.84 PTGS1 (0.46) PTGS1SLC7A11ENPEPMGAMGAA
SCHEMBL7927272 0.84 PTGS1 (0.46) PTGS1SLC7A11ALDH1A1ENPEPANPEP
SCHEMBL4743441 0.84 PTGS1 (0.46) PTGS1SLC7A11ENPEPTSHRHSD17B10
SCHEMBL20657045 0.84 PTGS1 (0.55) PTGS1SLC7A11CPB2ENPEPANPEP
SCHEMBL1964879 0.84 PTGS1 (0.55) PTGS1SLC7A11CPB2ENPEPANPEP
SCHEMBL361160 0.83 PTGS1 (0.44) PTGS1SLC7A11CPB2ENPEPANPEP
SCHEMBL19511523 0.83 PTGS1 (0.44) PTGS1SLC7A11ENPEPTSHRHSD17B10
SCHEMBL5149928 0.83 PTGS1 (0.44) PTGS1SLC7A11CPB2ENPEPANPEP
SCHEMBL28788296 0.82 NAAA (0.35) ALDH1A1CYP1A2HPGDCYP2C19BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643865-A1 NUTRITIONAL COMPOSITIONS AND USE THEREOF Serfontein, Willem Jacob (ZA) 2006-04-12 EP claimed
WO-2004107881-A1 NUTRITIONAL COMPOSITIONS AND USE THEREOF SERFONTEIN, WILLEM, JACOB (ZA) 2004-12-16 WO claimed
CN-113906046-A Immunogenic peptides having an oxidoreductase motif comprising a modified cysteine 易姆赛斯股份公司 2022-01-07 CN disclosed
CN-109564213-A Detecting microbial wound infection 西诺福有限公司 2019-04-02 CN disclosed
CN-1300224-A Protease inhibitors in absorbent articles PROCTER & GAMBLE (US) 2001-06-20 CN disclosed
CN-1300223-A Disposable absorbent article having a skin care composition containing an enzyme inhibitor PROCTER & GAMBLE (US) 2001-06-20 CN disclosed