SCHEMBL28639929

SCHEMBL28639929

C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 1/20 0.66
GPR183 P32249 15/20 0.65
ACHE P22303 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL28640051 0.92 ALDH1A1 (0.67) KDM4EALDH1A1GPR183ACHEMEN1
SCHEMBL28637687 0.91 KDM4E (0.66) KDM4EALDH1A1GPR183MEN1KMT2A
SCHEMBL28637002 0.91 KDM4E (0.63) KDM4EALDH1A1GPR183MEN1KMT2A
SCHEMBL28651379 0.89 ALDH1A1 (0.63) KDM4EALDH1A1GPR183ACHEMEN1
SCHEMBL28641683 0.87 KDM4E (0.65) KDM4EALDH1A1GPR183MEN1KMT2A
SCHEMBL28635282 0.86 TDP1 (0.61) KDM4EALDH1A1ACHEMEN1KMT2A
SCHEMBL31533012 0.86 GPR183 (0.73) KDM4EALDH1A1GPR183ACHE
SCHEMBL28632921 0.85 KDM4E (0.56) KDM4EALDH1A1GPR183MEN1KMT2A
SCHEMBL28647986 0.84 ACHE (0.76) GPR183ACHE
SCHEMBL28651404 0.83 GPR183 (0.60) KDM4EALDH1A1GPR183ACHEMEN1

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