SCHEMBL2783803

SCHEMBL2783803

CC1(C=O)CC(=O)c2cc(OCc3ccccc3)c(Cl)cc2O1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.50
HPGD P15428 1/20 0.41
AKR1B1 P15121 1/20 0.41
PPARG P37231 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2783518 0.88 MAOB (0.51) MAOBL3MBTL1ALDH1A1NPC1MAPT
SCHEMBL2785343 0.86 MAOB (0.49) MAOBL3MBTL1MRGPRX4ALDH1A1NPC1
SCHEMBL2784267 0.81 MAOB (0.61) MAOBHPGDALDH1A1NPC1MAPT
SCHEMBL10751852 0.77 MAOB (0.72) MAOBHPGDALDH1A1NPC1MAPT
SCHEMBL9819174 0.70 AKR1B1 (0.56) MAOBHPGDAKR1B1MRGPRX4ALDH1A1
SCHEMBL2786854 0.69 MAOB (0.49) MAOBL3MBTL1ALDH1A1NPC1MAPT
SCHEMBL2784548 0.68 MAOB (0.47) MAOBL3MBTL1MRGPRX4ALDH1A1NPC1
SCHEMBL4726898 0.67 MAOB (1.00) MAOBHPGDALDH1A1NPC1MAPT
SCHEMBL6604268 0.67 MAOB (0.82) MAOBHPGDALDH1A1NPC1MAPT
SCHEMBL3612372 0.65 NPC1 (0.49) MAOBHPGDPPARGL3MBTL1MRGPRX4

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
WO-2010128038-A1 HYDROQUINONE DERIVATIVES AXOGLIA THERAPEUTICS S.A. (LU) 2010-11-11 WO disclosed