SCHEMBL28637633

SCHEMBL28637633

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 3/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
APP P05067 3/20 0.52
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 4/20 0.49
TRPV1 Q8NER1 3/20 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
SCHEMBL28637635 1.00 L3MBTL1 (0.55) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL28638006 0.86 TDP1 (0.62) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL28638005 0.86 TDP1 (0.62) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL28652743 0.83 KDM4E (0.62) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL28635282 0.82 TDP1 (0.61) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL28638109 0.80 GPR183 (0.66) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL9567242 0.80 APP (0.57) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL9567245 0.80 APP (0.57) L3MBTL1TDP1KDM4EKMT2AALDH1A1
SCHEMBL28647986 0.80 ACHE (0.76) TDP1ACHE
SCHEMBL9567116 0.79 APP (0.56) L3MBTL1TDP1KDM4EKMT2AALDH1A1

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 2 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 disclosed
CN-113461639-A Piperazine-containing ferulic acid derivative, and preparation method and application thereof 贵州大学 2021-10-01 CN disclosed