SCHEMBL28047708

SCHEMBL28047708

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

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
CD274 Q9NZQ7 6/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
PDCD1 Q15116 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL28047711 1.00 PTPN1 (0.49) PTPN1CD274MEN1HTTKMT2A
SCHEMBL28047704 0.88 CD274 (0.57) PTPN1CD274MEN1KMT2APDCD1
SCHEMBL28047702 0.88 CD274 (0.57) PTPN1CD274MEN1KMT2APDCD1
SCHEMBL9055322 0.83 PTPN1 (0.58) PTPN1CD274MEN1KMT2APDCD1
SCHEMBL28047857 0.82 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL28047858 0.82 PTPN1 (0.47) PTPN1CD274PDCD1
SCHEMBL13402596 0.81 APLNR (0.58) CD274MEN1HTTKMT2A
SCHEMBL28047814 0.80 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047850 0.80 PTPN1 (0.45) PTPN1CD274PDCD1
SCHEMBL28047731 0.78 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