SCHEMBL28047685

SCHEMBL28047685

CC(C)CC(=O)c1c(O)cc(O)cc1OCc1nonc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
FFAR1 O14842 1/20 0.38
FBP1 P09467 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 2/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL28047723 0.94 CA12 (0.40) CA12CA1CA2CA9FFAR1
SCHEMBL28047758 0.75 FFAR1 (0.54) FFAR1
SCHEMBL28047693 0.75 GRM2 (0.38) FFAR1
SCHEMBL28515659 0.73 CA12 (0.55) CA12CA1CA2CA9TP53
SCHEMBL28047696 0.69 FFAR1 (0.57) FFAR1GAA
SCHEMBL28047856 0.68 FFAR1 (0.56) FFAR1FBP1
SCHEMBL28520989 0.67 CA12 (0.67) CA12CA1CA2CA9TP53
SCHEMBL6276169 0.67 FFAR1 (0.71) FFAR1FBP1
SCHEMBL28527473 0.67 CA12 (0.56) CA12CA1CA2CA9TP53
SCHEMBL28047836 0.66 FFAR1 (0.53) FFAR1FBP1

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