SCHEMBL6881655

SCHEMBL6881655

O=[C]C(CS)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MME P08473 4/20 0.32
ACE P12821 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
ECE1 P42892 1/20 0.32
BLM P54132 1/20 0.32
NPEPPS P55786 1/20 0.32
KMT2A Q03164 1/20 0.32
ANPEP P15144 3/20 0.31
ENPEP Q07075 3/20 0.31
FOLH1 Q04609 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC7A11 Q9UPY5 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
SCHEMBL3387110 1.00 ALDH1A1 (0.33) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL6881661 1.00 ALDH1A1 (0.33) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL25243333 0.72 ALDH1A1 (0.33) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL1309656 0.71 GSR (0.41) ALDH1A1LMNAMEN1BLMKMT2A
SCHEMBL2448267 0.71 GSR (0.41) ALDH1A1LMNAMEN1BLMKMT2A
SCHEMBL11277663 0.70
SCHEMBL7106567 0.70 MME (0.46) ALDH1A1MAPTMMEACEHPGD
SCHEMBL2183607 0.69 KDM4E (0.34) MAPTPTGS2MAPK1BLM
SCHEMBL197221 0.68 MAPT (0.50) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL80875 0.68 MAPT (0.50) ALDH1A1MAPTLMNAPTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0144170-B1 BIOSYNTHESIS OF UNNATURAL CEPHALOSPORINS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1989-01-25 EP claimed
EP-0144170-A1 Biosynthesis of unnatural cephalosporins QUEEN'S UNIVERSITY AT KINGSTON (CA) 1985-06-12 EP claimed
EP-1427441-A2 COMPOSITE SUPERIMMUNOGEN FOR BI-FUNCTIONAL VACCINE USE FOR THE TREATMENT OF ILLNESSES ASSOCIATED WITH A STROMAL TISSUE DISORDER NEOVACS (FR) 2004-06-16 EP disclosed
WO-2003013593-A2 COMPOSITE SUPERIMMUNOGEN FOR BI-FUNCTIONAL VACCINE USE FOR THE TREATMENT OF ILLNESSES ASSOCIATED WITH A STROMAL TISSUE DISORDER NEOVACS (FR) 2003-02-20 WO disclosed