SCHEMBL28047758

SCHEMBL28047758

CCOc1cc(O)cc(O)c1C(=O)CC(C)C

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 1/20 0.46
PTGS1 P23219 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC5A1 P13866 2/20 0.45
SLC5A2 P31639 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL28047696 0.84 FFAR1 (0.57) FFAR1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL28047836 0.84 FFAR1 (0.53) FFAR1NR1H2NR1H3CYP3A4MEN1
SCHEMBL28047856 0.83 FFAR1 (0.56) FFAR1NR1H2NR1H3CYP3A4MEN1
SCHEMBL6276169 0.82 FFAR1 (0.71) FFAR1CYP3A4MEN1PTGS1DRD3
Hydrochloric Acid SCHEMBL28047769 0.77 ADRB2 (0.49)
SCHEMBL28047852 0.75 FFAR1 (0.50) FFAR1CYP3A4
SCHEMBL28047685 0.75 CA12 (0.44) FFAR1
SCHEMBL28047701 0.74 CYP3A4 (0.61) FFAR1CYP3A4KMT2ASMN1; SMN2
SCHEMBL17106235 0.73 ALDH1A1 (0.49) MEN1KMT2ATDP1
SCHEMBL28047801 0.72 FFAR1 (0.62) FFAR1CYP3A4SLC5A1SLC5A2SMN1; SMN2

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