SCHEMBL28638006

SCHEMBL28638006

CCOc1ccc(C=CC(=O)N2CCN(C(=O)CCCCl)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 4/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
APP P05067 3/20 0.56
MEN1 O00255 2/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
GPR183 P32249 1/20 0.52
ACHE P22303 4/20 0.52
BCHE P06276 3/20 0.52
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
FDPS P14324 1/20 0.51
TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL28638005 1.00 TDP1 (0.62) TDP1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL28637635 0.86 L3MBTL1 (0.55) TDP1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL28637633 0.86 L3MBTL1 (0.55) TDP1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL10005331 0.85 L3MBTL1 (0.82) TDP1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL28632999 0.83 KDM4E (0.66) TDP1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL28632536 0.82 TDP1 (0.65) TDP1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL28640303 0.77 TDP1 (0.59) TDP1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL15045789 0.76 MAPT (0.70) KDM4EKMT2AALDH1A1APPMEN1
SCHEMBL3121297 0.74 KDM4E (0.97) TDP1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL3121290 0.74 KDM4E (0.97) TDP1L3MBTL1KDM4EKMT2AALDH1A1

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