SCHEMBL8835936

SCHEMBL8835936

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.68
ALPI P09923 1/20 0.68
PKM P14618 1/20 0.68
PTGS1 P23219 1/20 0.68
XIAP P98170 1/20 0.68
SLC15A1 P46059 2/20 0.58
LTA4H P09960 1/20 0.54
SLC1A3 P43003 2/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
SRR Q9GZT4 2/20 0.52
HDAC8 Q9BY41 2/20 0.51
EPHX1 P07099 1/20 0.50
CYP1A2 P05177 1/20 0.50
CTSC P53634 1/20 0.49
LAP3 P28838 2/20 0.48
ANPEP P15144 1/20 0.48

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
SCHEMBL28820471 1.00 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL288607 1.00 SLC7A5 (0.68) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29160724 0.98 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2494942 0.93 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL21495214 0.93 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1526409 0.92 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8609126 0.92 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27232046 0.92 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2687672 0.91 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1422055 0.91 SLC7A5 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646285-A ORTHOGONALLY PROTECTED COMPOUNDS ZYMOGENETICS, INC. (US) 1997-07-08 US claimed