SCHEMBL28047689

SCHEMBL28047689

COC(=O)CC[C@H](NCc1c(OC)cc(OC)cc1OC)C(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CD274 Q9NZQ7 8/20 0.37
ALOX5 P09917 1/20 0.36
PDCD1 Q15116 2/20 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
SCHEMBL28047691 1.00 PTPN1 (0.43) PTPN1CA12CA1CA2CA9
SCHEMBL28047814 0.86 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047850 0.86 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047857 0.83 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL28047858 0.83 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL28047676 0.80 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL28047675 0.80 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL28047753 0.78 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047708 0.77 PTPN1 (0.49) PTPN1CD274PDCD1
SCHEMBL28047711 0.77 PTPN1 (0.49) 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 1 patent. 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 disclosed