SCHEMBL7325824

SCHEMBL7325824

NC(Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.56
CTSC P53634 1/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
SLC15A1 P46059 1/20 0.48
LTA4H P09960 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
GNPAT O15228 1/20 0.44

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
SCHEMBL30924826 0.92 MME (0.65) MMECTSCALPIPKMPTGS1
SCHEMBL11211282 0.92 MME (0.65) MMECTSCALPIPKMPTGS1
SCHEMBL11211279 0.92 MME (0.65) MMECTSCALPIPKMPTGS1
SCHEMBL30735714 0.88 MME (0.60) MMECTSCALPIPKMPTGS1
SCHEMBL31215125 0.88 MME (0.60) MMECTSCALPIPKMPTGS1
SCHEMBL31215069 0.86 MME (0.59) MMECTSCALPIPKMPTGS1
SCHEMBL30595093 0.86 MME (0.59) MMECTSCALPIPKMPTGS1
SCHEMBL29892331 0.85 MME (0.58) MMECTSCALPIPKMPTGS1
SCHEMBL31096839 0.84 MME (0.56) MMECTSCALPIPKMPTGS1
SCHEMBL30567413 0.84 MME (0.67) MMECTSCALPIPKMPTGS1

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-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed