SCHEMBL28635282

SCHEMBL28635282

C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)CC)CC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
APP P05067 3/20 0.55
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TRPV1 Q8NER1 3/20 0.52
ACHE P22303 5/20 0.51
BCHE P06276 2/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL28632536 0.90 TDP1 (0.65) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28640051 0.87 ALDH1A1 (0.67) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28637687 0.86 KDM4E (0.66) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28639929 0.86 KDM4E (0.66) KDM4EALDH1A1KMT2AMEN1ACHE
SCHEMBL28652743 0.85 KDM4E (0.62) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28651404 0.85 GPR183 (0.60) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28637002 0.84 KDM4E (0.63) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28651379 0.84 ALDH1A1 (0.63) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28642145 0.84 TDP1 (0.63) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28638109 0.82 GPR183 (0.66) TDP1KDM4EALDH1A1KMT2AL3MBTL1

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