SCHEMBL17804129

SCHEMBL17804129

NC(Cc1ccccc1)C(=O)C1CO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.58
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC15A1 P46059 1/20 0.50
HDAC8 Q9BY41 3/20 0.49
LTA4H P09960 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
DPP4 P27487 3/20 0.46
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
FAP Q12884 1/20 0.44
CTSC P53634 1/20 0.43
CYP1A2 P05177 1/20 0.43
EPHX1 P07099 1/20 0.42
LAP3 P28838 2/20 0.42

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
Hydrochloric Acid SCHEMBL7362739 0.79 ALPI (0.45) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL7362750 0.79 ALPI (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL21297195 0.75 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22674760 0.75 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22674759 0.75 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL23159186 0.74 SLC7A5 (1.00) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL385804 0.74 SLC7A5 (1.00) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL8118 0.74 SLC7A5 (1.00) SLC7A5ALPIPKMPTGS1XIAP
D-Phenylalanine SCHEMBL837632 0.74 SLC7A5 (1.00) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL8119 0.74 SLC7A5 (1.00) 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
EP-2484688-B1 PEPTIDE EPOXYKETONES FOR PROTEASOME INHIBITION ONYX THERAPEUTICS INC (US) 2016-06-08 EP disclosed