SCHEMBL28211012

SCHEMBL28211012

NC(Cc1ccc(O)cc1)C(=O)OC(=O)C(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.55
HDAC8 Q9BY41 3/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
YARS1 P54577 1/20 0.44
TYR P14679 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
OPRD1 P41143 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
SLC15A1 P46059 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
SCHEMBL28211011 1.00 SLC7A5 (0.55) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL27920350 1.00 SLC7A5 (0.55) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL10863072 0.91 ALPI (0.56) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL10862081 0.91 ALPI (0.56) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL1422055 0.90 SLC7A5 (0.64) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL4453960 0.86 SLC7A5 (0.67) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL27680265 0.86 SLC7A5 (0.67) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL27858204 0.83 SLC7A5 (0.59) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL27858201 0.83 SLC7A5 (0.59) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL27967418 0.82 SLC7A5 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107897205-A Modified ramulus mori bastuse nano silver Synergistic antimicrobial material and preparation method thereof 重庆市畜牧科学院 2018-04-13 CN disclosed