SCHEMBL28979262

SCHEMBL28979262

CC(C)(C)OC(=O)NC/C(=C/F)COc1ccc2c(c1)CCC(=O)N2c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.43
AOC2 O75106 1/20 0.39
MAOA P21397 1/20 0.39
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL28979227 1.00 AOC3 (0.43) AOC3AOC2MAOATP53NPSR1
SCHEMBL29798655 0.81 AOC3 (0.69) AOC3
SCHEMBL22713787 0.81 AOC3 (0.69) AOC3
SCHEMBL28501732 0.81 AOC3 (0.69) AOC3
SCHEMBL22725877 0.80 AOC3 (0.65) AOC3HDAC8
SCHEMBL22725873 0.80 AOC3 (0.65) AOC3HDAC8
SCHEMBL28979225 0.80 TMEM97 (0.36) ALDH1A1HPGD
SCHEMBL28979260 0.80 TMEM97 (0.36) ALDH1A1HPGD
SCHEMBL21768066 0.77 BRD4 (0.45) AOC3HDAC8
SCHEMBL21768069 0.77 BRD4 (0.45) AOC3HDAC8

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
CN-109988093-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-04-07 CN disclosed