SCHEMBL7301283

SCHEMBL7301283

CC(C(=O)CF)N(C(=O)OCc1ccccc1)C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 3/20 0.46
ALDH1A1 P00352 1/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
LTA4H P09960 3/20 0.40
LAP3 P28838 1/20 0.40
ABCB1 P08183 1/20 0.40
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL9193091 1.00 SLC15A1 (0.46) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL9577621 0.89 ITGB3 (0.49) ALDH1A1
SCHEMBL7285563 0.87 SLC15A1 (0.42) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL7275666 0.83 SLC15A1 (0.41) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL7604639 0.81 SLC15A1 (0.43) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL7275440 0.81 SLC15A1 (0.47) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL28790921 0.79 SLC15A1 (0.50) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL7292946 0.79 SLC15A1 (0.50) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL10443784 0.79 SLC15A1 (0.46) SLC15A1ALDH1A1ALPIPKMPTGS1
SCHEMBL7606122 0.77 CTSB (0.43) SLC15A1ALDH1A1ALPIPKMPTGS1

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-0130679-A2 Alpha amino fluoro ketones ENZYME SYSTEMS PRODUCTS INC. (US) 1985-01-09 EP disclosed