SCHEMBL9067746

SCHEMBL9067746

NC(=O)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
GSTK1 Q9Y2Q3 1/20 0.44
GLO1 Q04760 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ECE1 P42892 2/20 0.35

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
SCHEMBL9225749 0.97 PTGS1 (0.44) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL17479582 0.97 PTGS1 (0.46) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL8503980 0.97 PTGS1 (0.46) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL8014827 0.97 PTGS1 (0.46) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL2169172 0.97 PTGS1 (0.46) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL6129324 0.97 PTGS1 (0.46) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL1442864 0.97 PTGS1 (0.46) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL1443581 0.97 PTGS1 (0.46) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL8431345 0.96 PTGS1 (0.45) PTGS1GSTK1GLO1OPRM1OPRD1
SCHEMBL8135287 0.96 PTGS1 (0.45) PTGS1GSTK1GLO1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479558-A Integrated vaccine design for symbiotic disease progression 纽约州立大学研究基金会 2020-07-31 CN disclosed
CN-101293922-A Streptococcus pneumoniae proteins and nucleic acid molecules SANOFI PASTEUR LTD (CA) 2008-10-29 CN disclosed
CN-101293921-A Streptococcus pneumoniae proteins and nucleic acid molecules SANOFI PASTEUR LTD (CA) 2008-10-29 CN disclosed
CN-101230098-A Streptococcus pneumoniae proteins and nucleic acid molecules SANOFI PASTEUR LTD (CA) 2008-07-30 CN disclosed
CN-101230099-A Streptococcus pneumoniae proteins and nucleic acid molecules SANOFI PASTEUR LTD (CA) 2008-07-30 CN disclosed
CN-101163720-A Rodent pest control SYNGENTA LTD (GB) 2008-04-16 CN disclosed
EP-0721506-A1 BACTERIAL EXPORTED PROTEINS AND ACELLULAR VACCINES BASED THEREON THE ROCKEFELLER UNIVERSITY (US) 1996-07-17 EP disclosed
WO-1995006732-A2 BACTERIAL EXPORTED PROTEINS AND ACELLULAR VACCINES BASED THEREON THE ROCKEFELLER UNIVERSITY (US) 1995-03-09 WO disclosed