SCHEMBL28047702

SCHEMBL28047702

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.57
PTPN1 P18031 1/20 0.52
PDCD1 Q15116 1/20 0.51
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL28047704 1.00 CD274 (0.57) CD274PTPN1PDCD1MEN1KMT2A
SCHEMBL28047711 0.88 PTPN1 (0.49) CD274PTPN1PDCD1MEN1KMT2A
SCHEMBL28047708 0.88 PTPN1 (0.49) CD274PTPN1PDCD1MEN1KMT2A
SCHEMBL20999185 0.88 CD274 (0.54) CD274PTPN1PDCD1
SCHEMBL28047731 0.84 PTPN1 (0.49) CD274PTPN1PDCD1
SCHEMBL21451451 0.84 CD274 (0.48) CD274PTPN1PDCD1MEN1KMT2A
SCHEMBL28047726 0.84 PTPN1 (0.49) CD274PTPN1PDCD1
SCHEMBL28047787 0.82 CD274 (0.55) CD274PTPN1PDCD1
SCHEMBL28047785 0.82 CD274 (0.55) CD274PTPN1PDCD1
SCHEMBL29589093 0.81 CD274 (0.61) CD274MEN1KMT2A

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