SCHEMBL366884

SCHEMBL366884

N[C@@H](Cc1ccccc1)C(=O)ONCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
SLC15A1 P46059 2/20 0.49
LTA4H P09960 1/20 0.46
CTSC P53634 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
ATM Q13315 1/20 0.44
HDAC8 Q9BY41 2/20 0.44
SRR Q9GZT4 1/20 0.44
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 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
SCHEMBL7227998 0.93 SLC7A5 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9711285 0.83 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL788933 0.82 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28184846 0.82 STING1 (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2785098 0.81 SLC7A5 (0.70) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14876594 0.81 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4461997 0.81 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6553756 0.80 LMNA (0.47)
SCHEMBL8705707 0.80 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Methyl Ester SCHEMBL74887 0.80 SLC7A5 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2568994-A2 PROTEASE CATALYZED IN SITU END CAPPING OF OLIGOPEPTIDES IN AQUEOUS MEDIA Polytechnic Institute of New York University (US) 2013-03-20 EP disclosed
WO-2011143383-A9 PROTEASE CATALYZED IN SITU END CAPPING OF OLIGOPEPTIDES IN AQUEOUS MEDIA POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2012-02-16 WO disclosed
WO-2011143383-A3 PROTEASE CATALYZED IN SITU END CAPPING OF OLIGOPEPTIDES IN AQUEOUS MEDIA POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2012-01-19 WO disclosed
WO-2011143383-A2 PROTEASE CATALYZED IN SITU END CAPPING OF OLIGOPEPTIDES IN AQUEOUS MEDIA POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2011-11-17 WO disclosed