SCHEMBL2785343

SCHEMBL2785343

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.49
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5AP P20292 1/20 0.36
BRD4 O60885 1/20 0.36
MAOA P21397 1/20 0.36

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 0.87 MAOB (0.51) MAOBL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL2783803 0.86 MAOB (0.50) MAOBL3MBTL1MRGPRX4NPC1ALDH1A1
SCHEMBL2784548 0.82 MAOB (0.47) MAOBRXRARXRBRXRGL3MBTL1
SCHEMBL2784267 0.81 MAOB (0.61) MAOBNPC1ALDH1A1MAPTRAB9A
SCHEMBL10751852 0.76 MAOB (0.72) MAOBNPC1ALDH1A1MAPTRAB9A
SCHEMBL2786854 0.69 MAOB (0.49) MAOBL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL4770022 0.66 ALOX5AP (0.46) MAOBRXRARXRBRXRGL3MBTL1
SCHEMBL4726898 0.66 MAOB (1.00) MAOBNPC1ALDH1A1MAPTRAB9A
SCHEMBL6604268 0.66 MAOB (0.82) MAOBNPC1ALDH1A1MAPTRAB9A
SCHEMBL18587451 0.66 RXRA (0.53) RXRARXRBRXRGL3MBTL1MRGPRX4

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-2010128038-A1 HYDROQUINONE DERIVATIVES AXOGLIA THERAPEUTICS S.A. (LU) 2010-11-11 WO disclosed
WO-2010128514-A1 AMINO ACID PERHYDRATES, PROCESS FOR THEIR PREPARATION AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD (IL) 2010-11-11 WO disclosed