SCHEMBL29096342

SCHEMBL29096342

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
NFE2L2 Q16236 2/20 0.56
NFKB1 P19838 2/20 0.56
JUN P05412 1/20 0.56
KMT2A Q03164 3/20 0.55
ABCG2 Q9UNQ0 2/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL1589618 0.88 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL29503043 0.88 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL1589619 0.88 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL22047109 0.87 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL29407280 0.86 HDAC1 (0.64) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL6587638 0.81 FDPS (0.73) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL6966283 0.81 FDPS (0.73) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL11232534 0.81 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL4121496 0.81 JUN (0.78) KDM4EALDH1A1SMN1; SMN2HPGDALOX15
SCHEMBL11232533 0.81 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2HPGDALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117645560-A Ferulic acid derivative containing amide and preparation method and application thereof 贵州大学 2024-03-05 CN disclosed
CN-114195691-B Ferulic acid derivative containing amide and preparation method and application thereof 贵州大学 2023-10-20 CN disclosed
CN-114195691-A Amide-containing ferulic acid derivative and preparation method and application thereof 贵州大学 2022-03-18 CN disclosed