SCHEMBL28637135

SCHEMBL28637135

COc1cc(/C=C/C(=O)N2CCNCC2)ccc1OC(C)C

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.63
TDP1 Q9NUW8 1/20 0.60
TRPV1 Q8NER1 3/20 0.56
ACHE P22303 4/20 0.55
BCHE P06276 3/20 0.55
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
APP P05067 3/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
JUN P05412 1/20 0.50
NFKB1 P19838 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
SCHEMBL11469832 0.90 KDM4E (0.80) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL11469833 0.90 KDM4E (0.80) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL10966936 0.84 TDP1 (0.58) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL28632999 0.84 KDM4E (0.66) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL28642145 0.84 TDP1 (0.63) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL11344094 0.83 TRPV1 (0.79) KDM4EALDH1A1KMT2ATRPV1ACHE
SCHEMBL15110692 0.81 ALDH1A1 (0.59) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL28925278 0.81 TDP1 (0.62) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL28652743 0.81 KDM4E (0.62) KDM4EALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL11470241 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AL3MBTL1MEN1HPGD

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