SCHEMBL8933698

SCHEMBL8933698

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.58
PTGS1 P23219 1/20 0.58
GSTK1 Q9Y2Q3 1/20 0.58
GLP1R P43220 8/20 0.48
EPHX2 P34913 2/20 0.46
GLO1 Q04760 2/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL2787327 1.00 NOD1 (0.58) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL27640167 1.00 NOD1 (0.58) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL3796646 1.00 NOD1 (0.58) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL2048450 0.99 PTGS1 (0.59) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL28851364 0.99 PTGS1 (0.59) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL3798423 0.96 PTGS1 (0.62) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL28180347 0.96 PTGS1 (0.62) NOD1PTGS1GSTK1GLP1REPHX2
SCHEMBL1503473 0.91 PTGS1 (0.63) NOD1PTGS1GSTK1GLP1RGLO1
SCHEMBL3800861 0.90 NOD1 (0.65) NOD1PTGS1GSTK1GLP1R
SCHEMBL3796046 0.90 NOD1 (0.65) NOD1PTGS1GSTK1GLP1R

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
WO-1996023879-A1 GLUBODIES - MULTIPLICITIES OF PROTEINS CAPABLE OF BINDING A VARIETY OF SMALL MOLECULES TERRAPIN TECHNOLOGIES, INC. (US) 1996-08-08 WO disclosed