SCHEMBL3798423

SCHEMBL3798423

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
GSTK1 Q9Y2Q3 1/20 0.62
NOD1 Q9Y239 5/20 0.53
GLO1 Q04760 2/20 0.46
GLP1R P43220 8/20 0.44
EPHX2 P34913 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40

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
SCHEMBL28180347 1.00 PTGS1 (0.62) PTGS1GSTK1NOD1GLO1GLP1R
SCHEMBL28851364 0.98 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1GLP1R
SCHEMBL2048450 0.98 PTGS1 (0.59) PTGS1GSTK1NOD1GLO1GLP1R
SCHEMBL2787327 0.96 NOD1 (0.58) PTGS1GSTK1NOD1GLO1GLP1R
SCHEMBL3796646 0.96 NOD1 (0.58) PTGS1GSTK1NOD1GLO1GLP1R
SCHEMBL8933698 0.96 NOD1 (0.58) PTGS1GSTK1NOD1GLO1GLP1R
SCHEMBL27640167 0.96 NOD1 (0.58) PTGS1GSTK1NOD1GLO1GLP1R
SCHEMBL1503473 0.94 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1GLP1R
SCHEMBL3388445 0.91 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1GLP1R
SCHEMBL13405233 0.90 PTGS1 (0.62) PTGS1GSTK1NOD1GLO1GLP1R

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-3270889-A1 TARGETED LIPOSOMAL DELIVERY OF CGMP ANALOGUES Mireca Medicines GmbH (DE) 2018-01-24 EP claimed
WO-2016146669-A1 TARGETED LIPOSOMAL DELIVERY OF CGMP ANALOGUES EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2016-09-22 WO claimed
EP-2398500-A2 GLUTATHIONE-BASED DRUG DELIVERY SYSTEM TO-BBB Holding B.V. (NL) 2011-12-28 EP disclosed
WO-2010095940-A2 GLUTATHIONE-BASED DRUG DELIVERY SYSTEM TO-BBB HOLDING B.V. (NL) 2010-08-26 WO disclosed