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SCHEMBL28047760

SCHEMBL28047760

COc1cc(OC)c(CNC(CCC(N)=O)C(=O)O)c(OC)c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.45
▸ CD274 Q9NZQ7 11/20 0.44
▸ PDCD1 Q15116 4/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL28047753 1.00 PTPN1 (0.45) PTPN1CD274PDCD1L3MBTL1
SCHEMBL28047676 0.90 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL28047675 0.90 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL28047834 0.87 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL28047829 0.87 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL2247297 0.84 TACR1 (0.43) CD274PDCD1L3MBTL1
SCHEMBL2248449 0.84 TAS1R3 (0.50) CD274PDCD1
SCHEMBL28047781 0.84 PTPN1 (0.44) PTPN1CD274PDCD1
SCHEMBL28047778 0.84 PTPN1 (0.44) PTPN1CD274PDCD1
SCHEMBL28047787 0.82 CD274 (0.55) PTPN1CD274PDCD1

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