SCHEMBL23329639

SCHEMBL23329639

Cc1ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
AOC3 Q16853 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HDAC1 Q13547 1/20 0.40
AOC2 O75106 2/20 0.40
DAO P14920 1/20 0.39
MAOA P21397 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL21780054 0.88 AOC3 (0.50) MAOBAOC3CA12CA1CA2
SCHEMBL21889843 0.88 MAOB (0.45) MAOBAOC3NPC1CA12CA1
SCHEMBL21768043 0.88 AOC3 (0.50) MAOBAOC3CA12CA1CA2
SCHEMBL23718599 0.88 AOC3 (0.50) MAOBAOC3CA12CA1CA2
SCHEMBL21768135 0.87 AOC3 (0.49) MAOBAOC3NPC1CA12CA1
SCHEMBL23718635 0.87 AOC3 (0.49) MAOBAOC3NPC1CA12CA1
SCHEMBL28367255 0.87 AOC3 (0.44) MAOBAOC3L3MBTL1CA12CA1
SCHEMBL21780044 0.87 AOC3 (0.49) MAOBAOC3NPC1CA12CA1
SCHEMBL21889186 0.87 AOC3 (0.44) MAOBAOC3L3MBTL1CA12CA1
SCHEMBL28644004 0.87 AOC3 (0.39) MAOBAOC3

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-2021083209-A1 SSAO INHIBITORS AND USE THEREOF ECCOGENE (SHANGHAI) CO., LTD. (CN) 2021-05-06 WO disclosed