SCHEMBL28635976

SCHEMBL28635976

C=CCc1c(C(C)=O)ccc2c1OC(c1ccc(C(C)=O)cc1)C(=O)C2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL28635981 0.77 SLC22A12 (0.41) KDM4EMAPT
SCHEMBL28635972 0.74 SLC22A12 (0.52) KDM4EMAPT
SCHEMBL28629173 0.70 MAPT (0.44) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL28625919 0.68 HSD17B1 (0.46) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL5430100 0.65 ESR1 (0.43)
SCHEMBL1593722 0.61 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL195563 0.59 KMT2A (0.59) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL9303754 0.57 ALDH1A1 (0.48) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL31657717 0.57 ALDH1A1 (0.48) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL17694444 0.57 THRB (0.42) KDM4EALDH1A1LMNAMAPTHTT

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-112661738-B Flavanone compound and preparation method and application thereof 南方医科大学 2023-01-10 CN disclosed
CN-112661738-A Flavanone compound and preparation method and application thereof 南方医科大学 2021-04-16 CN disclosed