SCHEMBL5016829

SCHEMBL5016829

N[C@@H](Cc1ccccc1)C(=O)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
MC4R P32245 2/20 0.47
SLC15A1 P46059 1/20 0.45
CPA1 P15085 6/20 0.44
LTA4H P09960 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MMP2 P08253 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 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
SCHEMBL9100092 1.00 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8850414 0.84 CYP1A2 (0.39) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27342871 0.81 CYP1A2 (0.40) MC4RSLC15A1LTA4HSLC1A3SLC1A2
SCHEMBL851646 0.81 LARS1 (0.42) SLC7A5LTA4HANPEPRNPEPDNPEP
SCHEMBL9391207 0.79 DPP7 (0.43) MC4RLTA4HMMP2MC5RMC3R
SCHEMBL7511095 0.79 CTRB1 (0.49)
SCHEMBL27798628 0.78 ATM (0.38)
SCHEMBL18261157 0.78 SLC7A5 (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16669849 0.75 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16669850 0.75 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320615-B1 AMINOPEPTIDASE DSM IP ASSETS BV (NL) 2008-12-03 EP disclosed
US-7078214-B2 Isolated polypeptides/polynucleotides from fungi; for enhancing flavor of products baked from dough DSM IP ASSETS B.V. (NL) 2006-07-18 US disclosed
US-20040038371-A1 Aminopeptidase DSM IP ASSETS B.V. (NL) 2004-02-26 US disclosed
WO-2002016618-A1 AMINOPEPTIDASE DSM N.V. (NL) 2002-02-28 WO disclosed
US-4097470-A AMINO ACID, ACRYLATE OR ACRYLAMIDE ADDITION POLYMER CESKOSLOVENSKA AKADEMIE VED (CS) 1978-06-27 US disclosed