SCHEMBL28047781

SCHEMBL28047781

COc1cc(OC)c(CNC(CCCCN)C(=O)O)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
CD274 Q9NZQ7 9/20 0.43
PDCD1 Q15116 4/20 0.43
SLC10A2 Q12908 1/20 0.42
CPB2 Q96IY4 1/20 0.41
TLR2 O60603 2/20 0.41
MAPK1 P28482 1/20 0.39

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
SCHEMBL28047778 1.00 PTPN1 (0.44) PTPN1CD274PDCD1SLC10A2CPB2
SCHEMBL28047760 0.84 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047753 0.84 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047676 0.83 PTPN1 (0.47) PTPN1CD274PDCD1MAPK1
SCHEMBL28047675 0.83 PTPN1 (0.47) PTPN1CD274PDCD1MAPK1
SCHEMBL28047785 0.81 CD274 (0.55) PTPN1CD274PDCD1
SCHEMBL28047787 0.81 CD274 (0.55) PTPN1CD274PDCD1
SCHEMBL28047828 0.81 MAPK1 (0.56) PTPN1CD274PDCD1MAPK1
SCHEMBL28047834 0.81 PTPN1 (0.47) PTPN1CD274PDCD1MAPK1
SCHEMBL28047714 0.80 PTPN1 (0.49) PTPN1CD274PDCD1MAPK1

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