SCHEMBL627558

SCHEMBL627558

NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.48
TGFBR1 P36897 3/20 0.47
PTGS1 P23219 1/20 0.47
SLC7A11 Q9UPY5 1/20 0.47
ACE P12821 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
PGGT1B P53609 3/20 0.39

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
SCHEMBL627559 1.00 MME (0.48) MMETGFBR1PTGS1SLC7A11ACE
SCHEMBL27820990 0.96 MME (0.50) MMETGFBR1PTGS1SLC7A11ACE
SCHEMBL27820989 0.96 MME (0.50) MMETGFBR1PTGS1SLC7A11ACE
SCHEMBL30011269 0.95 ACE (0.51) MMETGFBR1PTGS1SLC7A11ACE
SCHEMBL30010203 0.95 ACE (0.51) MMETGFBR1PTGS1SLC7A11ACE
SCHEMBL30011698 0.95 ACE (0.51) MMETGFBR1PTGS1SLC7A11ACE
SCHEMBL29461530 0.95 ACE (0.51) MMETGFBR1PTGS1SLC7A11ACE
Glycerin SCHEMBL28033837 0.94 MME (0.43) MMETGFBR1PTGS1SLC7A11ACE
SCHEMBL30782821 0.89 MME (0.45) MMEPTGS1SLC7A11ACE
SCHEMBL30288027 0.88 ACE (0.51) MMETGFBR1PTGS1SLC7A11ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979080-B9 A METHOD OF MODULATING AN IMMUNE RESPONSE IN AN INFECTED MAMMAL BY TRANSMUCOSAL ADMINISTRATION OF MODULATING AGENT UNIV JEFFERSON (US) 2012-02-22 EP claimed
EP-0979080-B1 A METHOD OF MODULATING AN IMMUNE RESPONSE IN AN INFECTED MAMMAL BY TRANSMUCOSAL ADMINISTRATION OF MODULATING AGENT UNIV JEFFERSON (US) 2011-07-13 EP claimed
EP-0431327-B1 Synthetic vaccine for the specific induction of cytotoxic T-lymphocytes HOECHST AG (DE) 1996-04-24 EP claimed
EP-0431327-A1 Synthetic vaccine for the specific induction of cytotoxic T-lymphocytes HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-12 EP claimed
CN-108135999-A For rabic human antibody and application thereof 马萨诸塞大学 2018-06-08 CN disclosed