SCHEMBL30446705

SCHEMBL30446705

OCCC(O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB2 P07550 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL22206886 1.00 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22206836 0.92 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30447120 0.92 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22206862 0.82 ADRA2A (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30446707 0.82 ADRA2A (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30446756 0.79 ADRA2A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31074204 0.79 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28431063 0.79 ADRA2A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22206856 0.78 GRIN2B (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30446107 0.78 GRIN2B (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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-111434671-B Liver-specific AMPK agonist and preparation method and application thereof 凯思凯迪(上海)医药科技有限公司 2023-07-11 CN disclosed