SCHEMBL2784548

SCHEMBL2784548

COC(OC)C1(C)CC(=O)c2cc(OCc3ccccc3)c(C(C)(C)C)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.47
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ALOX5AP P20292 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL2786854 0.88 MAOB (0.49) MAOBL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL2785343 0.82 MAOB (0.49) MAOBRXRARXRBRXRGALOX5AP
SCHEMBL2784597 0.81 MAOB (0.59) MAOBNPC1ALDH1A1MAPTRAB9A
SCHEMBL2784759 0.78 CYP1A1 (0.40) ALDH1A1MAPT
SCHEMBL10751852 0.75 MAOB (0.72) MAOBNPC1ALDH1A1MAPTRAB9A
SCHEMBL8798562 0.71 ATM (0.44) MAOBL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL2783959 0.70 MAPT (0.63) ALDH1A1MAPT
SCHEMBL2784581 0.69 KDM4E (0.39) ALDH1A1MAPT
SCHEMBL2783518 0.69 MAOB (0.51) MAOBL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL8800839 0.68 MAPT (0.37) MAOBL3MBTL1ALDH1A1MAPT

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