SCHEMBL29967007

SCHEMBL29967007

C#CCOc1ccc(/C=C/C(=O)N2CCNCC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
APP P05067 4/20 0.58
MEN1 O00255 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TRPV1 Q8NER1 3/20 0.52
BCHE P06276 2/20 0.52
MAOA P21397 2/20 0.52
ACHE P22303 2/20 0.52
MAOB P27338 2/20 0.52
FDPS P14324 2/20 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
SCHEMBL28644016 1.00 KDM4E (0.61) KDM4EKMT2AALDH1A1L3MBTL1TDP1
SCHEMBL28632999 0.87 KDM4E (0.66) KDM4EKMT2AALDH1A1L3MBTL1TDP1
SCHEMBL11469832 0.86 KDM4E (0.80) KDM4EKMT2AALDH1A1L3MBTL1TDP1
SCHEMBL11469833 0.86 KDM4E (0.80) KDM4EKMT2AALDH1A1L3MBTL1TDP1
SCHEMBL28652743 0.84 KDM4E (0.62) KDM4EKMT2AALDH1A1L3MBTL1TDP1
SCHEMBL28924931 0.82 APP (0.84) KDM4EKMT2AALDH1A1APPMEN1
SCHEMBL10966941 0.81 KDM4E (0.58) KDM4EKMT2AALDH1A1L3MBTL1TDP1
SCHEMBL12336758 0.81 NFE2L2 (0.72) KDM4EKMT2AALDH1A1TDP1APP
SCHEMBL21715528 0.81 KDM4E (0.69) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL19695927 0.81 FDPS (0.73) KDM4EKMT2AALDH1A1APPMEN1

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 1 patent. 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