SCHEMBL2403306

SCHEMBL2403306

N[C@@H](Cc1ccc(O)cc1)C(=O)Oc1cccccccs1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.51
HDAC8 Q9BY41 3/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
TYR P14679 1/20 0.41
SLC15A1 P46059 2/20 0.39
BACE1 P56817 2/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5680233 0.89 ALPI (0.51) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL1047510 0.80 SLC7A5 (0.60) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL27974928 0.80 SLC7A5 (0.60) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL27920353 0.80 SLC7A5 (0.60) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL6062940 0.78 KIF11 (0.42) PKMSLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL1422055 0.77 SLC7A5 (0.64) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL16080193 0.76 SLC7A5 (0.62) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL121369 0.76 SLC7A5 (0.62) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL630209 0.76 SLC7A5 (0.62) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL25982889 0.76 SLC7A5 (0.62) SLC7A5HDAC8ALPIPKMPTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130067616-A1 Plant Defensive Peptides BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2013-03-14 US disclosed
WO-2011112891-A2 PLANT DEFENSIVE PEPTIDES BOAD OF SUPERVISORS OF LOUISANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2011-09-15 WO disclosed