SCHEMBL14437516

SCHEMBL14437516

CC(=O)COCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
ALOX5 P09917 2/20 0.60
PTGS1 P23219 2/20 0.60
PTGS2 P35354 2/20 0.60
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
FFAR1 O14842 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 1/20 0.57
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL20425306 0.88 MAOB (0.70) MAOBALOX5PTGS1PTGS2NR4A1
SCHEMBL712779 0.88 ALDH1A1 (0.59) MAOBSMN1; SMN2ALDH1A1L3MBTL1SLC6A2
SCHEMBL5042654 0.87 FFAR1 (0.66) MAOBALOX5PTGS1PTGS2NR4A1
SCHEMBL19599654 0.85 FFAR1 (0.51) MAOBFFAR1FFAR4SMN1; SMN2ALDH1A1
SCHEMBL1228881 0.84 PTGS1 (0.56) MAOBALOX5PTGS1PTGS2NR4A1
SCHEMBL68570 0.83 ALOX5 (0.69) MAOBALOX5PTGS1PTGS2NR4A1
SCHEMBL20442640 0.82 NR1H4 (0.60) MAOBALOX5PTGS1PTGS2NR4A1
SCHEMBL5033197 0.81 FFAR1 (0.77) MAOBALOX5PTGS1PTGS2NR4A1
Ethylene SCHEMBL11248134 0.81 ALOX5 (0.66) MAOBALOX5PTGS1PTGS2NR4A1
SCHEMBL13886196 0.81 PLA2G4B (0.60) SMN1; SMN2CYP1A2HIF1AHDAC6PLA2G4B

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
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed