SCHEMBL6552944

SCHEMBL6552944

O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.63
MME P08473 4/20 0.63
CASP3 P42574 2/20 0.62
CASP1 P29466 1/20 0.62
CASP9 P55211 1/20 0.62
NAALAD2 Q9Y3Q0 2/20 0.61
CASP7 P55210 1/20 0.54
ITGB3 P05106 4/20 0.54
ITGA2B P08514 4/20 0.54
CTSL P07711 1/20 0.54
TACR1 P25103 2/20 0.54
ACE P12821 1/20 0.54

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
SCHEMBL14433746 1.00 ECE1 (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL6552949 1.00 ECE1 (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL13884433 1.00 ECE1 (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL13589992 1.00 ECE1 (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL14778231 0.96 MME (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL2873941 0.96 MME (0.63) ECE1MMECASP3CASP1CASP9
SCHEMBL13957718 0.95 MME (0.64) ECE1MMECASP3CASP1CASP9
SCHEMBL1426719 0.95 MME (0.64) ECE1MMECASP3CASP1CASP9
SCHEMBL13884435 0.95 MME (0.64) ECE1MMECASP3CASP1CASP9
SCHEMBL2181857 0.94 CASP1 (0.62) ECE1MMECASP3CASP1CASP9

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116064280-B Siamese bacillus and application thereof 大连工业大学 2024-05-07 CN disclosed
CN-116004423-B Bacillus bailii and application thereof 大连工业大学 2024-05-07 CN disclosed
CN-116064279-B Siamese bacillus and application thereof in low-salt fermentation of food 大连工业大学 2024-04-02 CN disclosed
CN-116004424-B Bacillus tequilensis and application thereof in low-salt fermentation of food 大连工业大学 2024-04-02 CN disclosed
CN-116064279-B Siamese bacillus and application thereof in low-salt fermentation of food 大连工业大学 2024-04-02 CN disclosed
CN-117511770-A Preparation method of direct-vat starter and application of direct-vat starter in fermentation of stinky mandarin fish 大连工业大学 2024-02-06 CN disclosed
CN-114540263-B Construction method of high Wen Suotai-resistant enzyme in bacillus subtilis and application of high Wen Suotai-resistant enzyme in low-bitter plant oligopeptide 江南大学 2023-08-25 CN disclosed
CN-116064279-A Siamese bacillus and application thereof in low-salt fermentation of food 大连工业大学 2023-05-05 CN disclosed
CN-116064280-A Siamese bacillus and application thereof 大连工业大学 2023-05-05 CN disclosed
CN-116064279-A Siamese bacillus and application thereof in low-salt fermentation of food 大连工业大学 2023-05-05 CN disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
EP-0765117-B1 BIOLOGICAL CONTROL OF INSECTS UNIV TROBE (AU) 2004-02-18 EP disclosed
US-5985273-A AMINOPEPTIDASE INHIBITORS OR METALLOPEPTIDASE INHIBITORS AND FURTHER COMPRISE A NON-STRONGLY-CHELATING PEPTIDASE INHIBITOR. REED BENJAMIN J (AU) 1999-11-16 US disclosed
EP-0765117-A4 BIOLOGICAL CONTROL OF INSECTS UNIV TROBE (AU) 1998-12-02 EP disclosed
EP-0765117-A1 BIOLOGICAL CONTROL OF INSECTS LA TROBE UNIVERSITY (AU) 1997-04-02 EP disclosed
WO-1995035031-A1 BIOLOGICAL CONTROL OF INSECTS LA TROBE UNIVERSITY (AU) 1995-12-28 WO disclosed
US-5315011-A Polyamide thermosets THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1994-05-24 US disclosed
US-5198551-A Polyamide thermosets THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1993-03-30 US disclosed
US-5114612-A Liquid crystal polyester thermosets THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY (US) 1992-05-19 US disclosed
US-3957581-A FROM CLADOSPORIUM AJINOMOTO CO., INC. (JA) 1976-05-18 US disclosed