SCHEMBL11101522

SCHEMBL11101522

COC(=O)CCOC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC15A1 P46059 2/20 0.49
LTA4H P09960 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ANPEP P15144 2/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
LAP3 P28838 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSC P53634 1/20 0.43

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
SCHEMBL26359430 0.84 ALPI (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL15679078 0.84 ALPI (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2309825 0.83 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2309818 0.83 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL27880854 0.82 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL74888 0.82 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL186022 0.82 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine Methyl Ester SCHEMBL74887 0.82 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27926007 0.81 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5801113 0.81 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105919-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES. CIBA GEIGY AG (CH) 1984-04-25 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed