SCHEMBL248598

SCHEMBL248598

COc1c(O)ccc(C=CC(=O)c2ccccc2O)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.66
AR P10275 1/20 0.66
MAPT P10636 4/20 0.61
LMNA P02545 2/20 0.61
ALDH1A1 P00352 1/20 0.61
BCHE P06276 2/20 0.60
GUSB P08236 1/20 0.60
MAOA P21397 2/20 0.58
CASP3 P42574 2/20 0.58
SENP8 Q96LD8 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
SENP6 Q9GZR1 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
CHRNA7 P36544 1/20 0.57
NR1H4 Q96RI1 2/20 0.54
ACHE P22303 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
SCHEMBL20608552 0.89 MAOB (0.63) MAOBARMAPTLMNAALDH1A1
SCHEMBL20340323 0.89 MAOB (0.71) MAOBARMAPTLMNAALDH1A1
SCHEMBL5159660 0.88 MAOB (0.62) MAOBARMAPTLMNAALDH1A1
SCHEMBL20608545 0.85 MAOB (0.59) MAOBARMAPTLMNAALDH1A1
SCHEMBL27391384 0.84 ABCG2 (0.62) MAOBMAPTLMNAALDH1A1BCHE
SCHEMBL5084423 0.83 MAOB (0.80) MAOBARMAPTLMNAALDH1A1
SCHEMBL5084427 0.83 MAOB (0.80) MAOBARMAPTLMNAALDH1A1
SCHEMBL29183307 0.82 MAPT (0.72) MAOBARMAPTLMNAALDH1A1
SCHEMBL29270985 0.81 MAPT (0.66) MAOBARMAPTLMNAALDH1A1
SCHEMBL20608559 0.80 MAOB (0.62) MAOBARMAPTLMNAALDH1A1

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
WO-2008095189-A1 METHODS AND COMPOSITIONS FOR TREATING DYSLIPIDAEMIA BIOACTIVES, INC. (US) 2008-08-07 WO claimed
WO-2012003515-A2 STABLE FATTY ACID-CONTAINING FORMULATIONS KUHRTS ERIC HAUSER (US) 2012-01-05 WO disclosed