SCHEMBL28047824

SCHEMBL28047824

C[C@H](NCc1c(O)cc(O)cc1O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.41
PDCD1 Q15116 1/20 0.39
NR4A2 P43354 1/20 0.38
TYR P14679 1/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTGS1 P23219 1/20 0.36
DRD3 P35462 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL28047732 0.83 TYR (0.39) TYR
SCHEMBL30578849 0.75 ALOX15 (0.47) CD274PDCD1NR4A2MEN1CYP3A4
SCHEMBL29102647 0.75 ALOX15 (0.47) CD274PDCD1NR4A2MEN1CYP3A4
SCHEMBL31542039 0.75 MEP1B (0.40) CD274PDCD1NR4A2
SCHEMBL20999185 0.73 CD274 (0.54) CD274PDCD1
SCHEMBL28047704 0.73 CD274 (0.57) CD274PDCD1MEN1KMT2A
SCHEMBL28047702 0.73 CD274 (0.57) CD274PDCD1MEN1KMT2A
SCHEMBL9462879 0.72 ERCC1 (0.59) CD274PDCD1MEN1CYP3A4PTGS1
SCHEMBL6237751 0.72 NR4A2 (0.37) CD274PDCD1NR4A2
SCHEMBL29141118 0.71 CD274 (0.44) CD274PDCD1NR4A2

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
CN-105189446-A Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder INST MATERIA MEDICA CAMS 2015-12-23 CN claimed
CN-105189446-A Phloroglucinol derivatives and application thereof in treatment of neurodegenerative disorder INST MATERIA MEDICA CAMS 2015-12-23 CN disclosed