SCHEMBL29183307

SCHEMBL29183307

COc1cc(C=CC(=O)c2ccccc2O)c(OC)c(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.72
ALDH1A1 P00352 1/20 0.72
LMNA P02545 1/20 0.72
MAOB P27338 6/20 0.69
AR P10275 4/20 0.69
ACHE P22303 1/20 0.61
ABCG2 Q9UNQ0 1/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
NR1H4 Q96RI1 3/20 0.57
BCHE P06276 1/20 0.56
GUSB P08236 1/20 0.56
CYP1A1 P04798 1/20 0.55
MAOA P21397 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54

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
SCHEMBL5613122 0.89 MAPT (0.67) MAPTALDH1A1LMNAMAOBAR
SCHEMBL20340323 0.88 MAOB (0.71) MAPTALDH1A1LMNAMAOBAR
SCHEMBL633509 0.87 MAPT (0.69) MAPTALDH1A1LMNAMAOBAR
SCHEMBL633510 0.87 MAPT (0.69) MAPTALDH1A1LMNAMAOBAR
SCHEMBL16928595 0.86 MAOB (0.74) MAPTALDH1A1LMNAMAOBAR
SCHEMBL15630178 0.86 MAOB (0.74) MAPTALDH1A1LMNAMAOBAR
SCHEMBL7193689 0.85 MAOB (0.74) MAPTALDH1A1LMNAMAOBAR
SCHEMBL31234931 0.85 MAOB (0.74) MAPTALDH1A1LMNAMAOBAR
SCHEMBL7193687 0.85 MAOB (0.74) MAPTALDH1A1LMNAMAOBAR
SCHEMBL5423343 0.84 MAPT (1.00) MAPTALDH1A1LMNAMAOBAR

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-117771230-A Application of aureobasil in preparation of medicines for treating neurodegenerative diseases and delaying aging 常州大学 2024-03-29 CN disclosed