SCHEMBL3259767

SCHEMBL3259767

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

nearest known ligand 0.49

Predicted protein targets (top 15)

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
MC4R P32245 4/20 0.45
MC5R P33032 3/20 0.45
MC3R P41968 3/20 0.45
CSNK1E P49674 1/20 0.43
LTA4H P09960 1/20 0.42
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC15A1 P46059 1/20 0.40
TYR P14679 2/20 0.39

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
SCHEMBL4481943 0.91 ALPI (0.42) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27763764 0.84 ALDH1A1 (0.41) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9861325 0.83 SLC15A1 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8917376 0.81 MC4R (0.60) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL9439526 0.81 MC4R (0.57) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL6798148 0.81 MC4R (0.58) MC4RMC5RMC3R
SCHEMBL10528446 0.80 BIRC2 (0.41)
SCHEMBL27339211 0.80 CSNK1E (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27339210 0.80 CSNK1E (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9572329 0.79 MC4R (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659428-B2 Methods for producing acylphenylalanine AJINOMOTO CO., INC. (JP) 2010-02-09 US disclosed
EP-1334962-B1 PROCESS FOR THE PREPARATION OF ACYLPHENYLALANINES AJINOMOTO KK (JP) 2007-09-19 EP disclosed
US-20060155143-A1 Methods for producing acylphenylalanine AJINOMOTO CO. INC (JP) 2006-07-13 US disclosed
US-7030268-B2 Methods for producing acylphenylalanine AJINOMOTO CO., INC. (JP) 2006-04-18 US disclosed
US-20040024219-A1 Methods for producing acylphenylalanine AJINOMOTO CO. INC (JP) 2004-02-05 US disclosed
EP-1334962-A1 PROCESS FOR THE PREPARATION OF ACYLPHENYLALANINES Ajinomoto Co., Inc. (JP) 2003-08-13 EP disclosed