SCHEMBL28047836

SCHEMBL28047836

CCC(=O)Oc1cc(O)cc(O)c1C(=O)CC(C)C

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
PTGS1 P23219 1/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 1/20 0.49
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
BCL2L1 Q07817 1/20 0.41
FBP1 P09467 1/20 0.39
ALOX15 P16050 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
SCHEMBL28047758 0.84 FFAR1 (0.54) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL28047696 0.83 FFAR1 (0.57) FFAR1MEN1CYP3A4KMT2A
SCHEMBL28047856 0.82 FFAR1 (0.56) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL6276169 0.81 FFAR1 (0.71) FFAR1MEN1CYP3A4PTGS1DRD3
SCHEMBL28047701 0.73 CYP3A4 (0.61) FFAR1CYP3A4KMT2A
SCHEMBL28047801 0.71 FFAR1 (0.62) FFAR1CYP3A4
SCHEMBL28860997 0.71 ALOX15 (0.42) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL31580496 0.70 FFAR1 (1.00) FFAR1BCL2L1FBP1
SCHEMBL3834439 0.69 MAOB (0.52) MEN1KMT2AALOX15
SCHEMBL28169742 0.69 ALOX15 (0.50) MEN1KMT2AALOX15

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 claimed