SCHEMBL623613

SCHEMBL623613

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
SLC15A1 P46059 2/20 0.43
LTA4H P09960 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
ANPEP P15144 2/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL9272785 0.84 ALPI (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5434911 0.84 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1323647 0.81 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4423196 0.81 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1323648 0.81 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL13367286 0.80 SLC7A5 (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11499279 0.80 SLC7A5 (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19107056 0.80 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL2058798 0.79 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL5163496 0.79 ALPI (0.58) 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
US-20110287479-A1 PROTEASE CATALYZED IN SITU END CAPPING OF OLIGOPEPTIDES IN AQUEOUS MEDIA POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2011-11-24 US 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