SCHEMBL28642145

SCHEMBL28642145

CCS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
BCHE P06276 3/20 0.52
MAOA P21397 3/20 0.52
ACHE P22303 3/20 0.52
MAOB P27338 3/20 0.52
MAPT P10636 1/20 0.52
APP P05067 3/20 0.52
TRPV1 Q8NER1 3/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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 0.87 TDP1 (0.65) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28640023 0.84 KDM4E (0.69) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28870519 0.84 KDM4E (0.69) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28635282 0.84 TDP1 (0.61) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28637135 0.84 KDM4E (0.66) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28925276 0.83 GPR183 (0.63) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28632925 0.82 ALDH1A1 (0.66) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28640191 0.82 KDM4E (0.66) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28925278 0.81 TDP1 (0.62) TDP1KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL28643937 0.79 TDP1 (0.60) TDP1KDM4EALDH1A1KMT2AMEN1

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