SCHEMBL11599296

SCHEMBL11599296

N=C(N)NCCC[C@@H](C(=O)O)N(CCCC(=O)c1ccc(I)cc1)C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.38
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 0.34
NPY4R P50391 3/20 0.33
NPY1R P25929 2/20 0.33
NPY2R P49146 2/20 0.33
NPY5R Q15761 2/20 0.33
ANPEP P15144 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
TPH1 P17752 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MMP2 P08253 1/20 0.32

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
SCHEMBL8374436 0.83 ANPEP (0.40) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9390635 0.83 ANPEP (0.40) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9394697 0.83 ANPEP (0.40) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7302277 0.83 NPC1 (0.41) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7566039 0.79 ANPEP (0.37) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27913206 0.77 ANPEP (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27913200 0.77 ANPEP (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5636527 0.75 ALPI (0.40) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2465468 0.74 MMP2 (0.36) MMP2
SCHEMBL6049152 0.74 ANPEP (0.39) ALPIPKMPTGS1XIAPSLC7A5

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
US-4115374-A IODO-P-HYDROXYPHENYL-GLYCYLGLYCINE RYAN JAMES WALTER 1978-09-19 US disclosed