SCHEMBL6905290

SCHEMBL6905290

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.68
GSTK1 Q9Y2Q3 1/20 0.68
GLO1 Q04760 2/20 0.49
FOLH1 Q04609 3/20 0.43
NOD1 Q9Y239 4/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PGGT1B P53609 1/20 0.40
GNPAT O15228 2/20 0.39
BMP1 P13497 1/20 0.38
ENPEP Q07075 1/20 0.36

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
SCHEMBL4665326 0.91 PTGS1 (0.75) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL1479109 0.88 PTGS1 (0.88) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL28304097 0.88 PTGS1 (0.88) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL10825773 0.88 PTGS1 (0.88) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL14360534 0.88 PTGS1 (0.88) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL29420383 0.86 PTGS1 (0.68) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL10324537 0.86 PTGS1 (0.92) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL2355650 0.86 PTGS1 (0.92) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL30439788 0.85 FOLH1 (0.58) PTGS1GSTK1FOLH1GNPATBMP1
SCHEMBL14538441 0.85 PTGS1 (0.55) PTGS1GSTK1GLO1NOD1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131340-B1 HEXAPEPTIDE WITH THE STABILIZED DISULFIDE BOND AND DERIVATIVES THEREOF REGULATING METABOLISM, PROLIFERATION, DIFFERENTIATION AND APOPTOSIS NOVELOS THERAPEUTICS INC (US) 2004-10-13 EP claimed