SCHEMBL28633174

SCHEMBL28633174

COc1cc(/C=C/C(=O)N2CCNCC2)ccc1OCc1ccccc1F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.63
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 1/20 0.60
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CA9 Q16790 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
SCHEMBL28641681 0.90 APP (0.66) APPKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL28641680 0.90 APP (0.66) APPKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL28653005 0.89 APP (0.64) APPKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL29966961 0.89 APP (0.64) APPKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL28924850 0.86 ACHE (0.68) APPKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL28639863 0.86 APP (0.58) APPKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL28638131 0.86 APP (0.58) APPKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL28639862 0.86 APP (0.58) APPKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL28924931 0.86 APP (0.84) APPKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL28639950 0.82 ALDH1A1 (0.71) APPKMT2AKDM4EMEN1SMN1; SMN2

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