SCHEMBL28047829

SCHEMBL28047829

COc1cc(OC)c(CN[C@@H](CC(N)=O)C(=O)O)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
CD274 Q9NZQ7 10/20 0.42
PDCD1 Q15116 4/20 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
SCHEMBL28047834 1.00 PTPN1 (0.47) PTPN1MEN1KMT2AMAPK1CD274
SCHEMBL28047714 0.89 PTPN1 (0.49) PTPN1MAPK1CD274PDCD1
SCHEMBL28047709 0.89 PTPN1 (0.49) PTPN1MAPK1CD274PDCD1
SCHEMBL28047753 0.87 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047760 0.87 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047787 0.85 CD274 (0.55) PTPN1CD274PDCD1
SCHEMBL28047785 0.85 CD274 (0.55) PTPN1CD274PDCD1
SCHEMBL28047695 0.83 PTPN1 (0.49) PTPN1MEN1KMT2AMAPK1CD274
SCHEMBL28047698 0.83 PTPN1 (0.49) PTPN1MEN1KMT2AMAPK1CD274
SCHEMBL28047675 0.81 PTPN1 (0.47) PTPN1MAPK1CD274PDCD1

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