SCHEMBL17848310

SCHEMBL17848310

CC(=O)c1cc(OCc2ccc(C)cc2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.77
MAOA P21397 9/20 0.77
PARP10 Q53GL7 1/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL16704452 0.88 MAOB (0.60) MAOBMAOAPARP10MAPTALDH1A1
SCHEMBL754206 0.87 MAOB (0.82) MAOBMAOAPARP10
SCHEMBL560607 0.87 MAOB (0.81) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL6949626 0.83 MAOB (0.70) MAOBMAOAMAPTALDH1A1
SCHEMBL8069592 0.81 MAOB (0.62) MAOBMAOAPARP10MAPTALDH1A1
SCHEMBL13016133 0.80 MAOB (0.55) MAOBMAOA
SCHEMBL17848261 0.80 MAOB (0.64) MAOBMAOAMAPTHTTL3MBTL1
SCHEMBL17848320 0.80 MAOB (0.64) MAOBMAOAALDH1A1
SCHEMBL26198947 0.80 MAOB (0.55) MAOBMAOAPARP10MAPTALDH1A1
SCHEMBL10420838 0.79 MCL1 (0.60) MAOBMAOAPARP10MAPTALDH1A1

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-2016097345-A1 LABELLED CHROMONE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2016-06-23 WO disclosed