SCHEMBL28640303

SCHEMBL28640303

CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
APP P05067 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 4/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
ACHE P22303 7/20 0.53
BCHE P06276 5/20 0.53
MAOA P21397 5/20 0.53
MAOB P27338 5/20 0.53

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
SCHEMBL10005331 0.82 L3MBTL1 (0.82) TDP1APPL3MBTL1KDM4EKMT2A
SCHEMBL28632999 0.80 KDM4E (0.66) TDP1APPL3MBTL1KDM4EKMT2A
SCHEMBL28632536 0.80 TDP1 (0.65) TDP1APPL3MBTL1KDM4EKMT2A
SCHEMBL28638131 0.79 APP (0.58) TDP1APPL3MBTL1KDM4EKMT2A
SCHEMBL28641681 0.79 APP (0.66) TDP1APPL3MBTL1KDM4EKMT2A
SCHEMBL28641680 0.79 APP (0.66) TDP1APPL3MBTL1KDM4EKMT2A
SCHEMBL28638005 0.77 TDP1 (0.62) TDP1APPL3MBTL1KDM4EKMT2A
SCHEMBL28638006 0.77 TDP1 (0.62) TDP1APPL3MBTL1KDM4EKMT2A
SCHEMBL28633174 0.77 APP (0.63) TDP1APPL3MBTL1KDM4EKMT2A
SCHEMBL28639862 0.75 APP (0.58) TDP1APPL3MBTL1KDM4EKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461639-B Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2022-11-01 CN claimed
CN-113461639-A Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2021-10-01 CN claimed
CN-113461639-B Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2022-11-01 CN disclosed
CN-113461639-A Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2021-10-01 CN disclosed