SCHEMBL28639665

SCHEMBL28639665

CC(C)Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.82
TP53 P04637 3/20 0.82
CYP3A4 P08684 3/20 0.82
LMNA P02545 2/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
MEN1 O00255 1/20 0.82
KMT2A Q03164 1/20 0.82
ABCB1 P08183 2/20 0.73
ABCG2 Q9UNQ0 1/20 0.73
STS P08842 1/20 0.63
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
PLA2G2A P14555 1/20 0.62
PLA2G4A P47712 1/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
SIGMAR1 Q99720 4/20 0.61
THRB P10828 1/20 0.60

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
SCHEMBL27493025 0.90 SMN1; SMN2 (1.00) MAPTTP53CYP3A4LMNASMN1; SMN2
SCHEMBL30540840 0.90 SMN1; SMN2 (1.00) MAPTTP53CYP3A4LMNASMN1; SMN2
SCHEMBL27609731 0.86 ABCB1 (0.69) MAPTTP53CYP3A4LMNASMN1; SMN2
SCHEMBL28635129 0.85 ABCB1 (0.71) MAPTTP53CYP3A4LMNASMN1; SMN2
6-Methoxyflavone SCHEMBL30799564 0.85 ABCB1 (1.00) MAPTTP53CYP3A4LMNASMN1; SMN2
6-Methoxyflavone SCHEMBL312059 0.85 ABCB1 (1.00) MAPTTP53CYP3A4LMNASMN1; SMN2
6-Methoxyflavone SCHEMBL28930176 0.85 ABCB1 (1.00) MAPTTP53CYP3A4LMNASMN1; SMN2
6-Methoxyflavone SCHEMBL28301080 0.83 ABCB1 (0.97) MAPTTP53CYP3A4LMNASMN1; SMN2
SCHEMBL28646380 0.83 ABCB1 (0.68) MAPTTP53CYP3A4LMNASMN1; SMN2
SCHEMBL28647882 0.82 ABCB1 (0.67) MAPTTP53CYP3A4ABCB1ABCG2

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-113512018-B Flavonoid compound and preparation method and application thereof 合肥工业大学 2023-07-18 CN disclosed
CN-113512018-A Flavonoid compound and preparation method and application thereof 合肥工业大学 2021-10-19 CN disclosed