SCHEMBL28635979

SCHEMBL28635979

C=CCc1c(O)ccc2c1OC(c1ccc(O)cc1)CC2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.76
SLC2A9 Q9NRM0 2/20 0.76
XDH P47989 1/20 0.76
KDM4E B2RXH2 2/20 0.61
POLB P06746 2/20 0.61
ALPI P09923 2/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.61
MITF O75030 1/20 0.61
ALPL P05186 1/20 0.61
ALPG P10696 1/20 0.61
PKM P14618 1/20 0.61
KMT2A Q03164 1/20 0.61
PTPN1 P18031 2/20 0.59
CYP1A1 P04798 1/20 0.59
CYP1B1 Q16678 1/20 0.59
CYP19A1 P11511 4/20 0.56
ESR2 Q92731 3/20 0.54
ESR1 P03372 2/20 0.54

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
Isobavachin SCHEMBL31620056 0.86 SLC22A12 (1.00) SLC22A12SLC2A9XDHKDM4EPOLB
Isobavachin SCHEMBL1170628 0.86 SLC22A12 (1.00) SLC22A12SLC2A9XDHKDM4EPOLB
SCHEMBL2687105 0.83 ESR1 (0.76) POLBMAPTMEN1KMT2APTPN1
SCHEMBL28931302 0.82 SLC22A12 (0.67) SLC22A12SLC2A9XDHKDM4EPOLB
SCHEMBL14523865 0.80 SLC22A12 (0.83) SLC22A12SLC2A9XDHKDM4EPOLB
SCHEMBL17387105 0.79 MAPT (0.65) SLC22A12SLC2A9XDHPOLBMAPT
SCHEMBL31429808 0.78 SLC22A12 (0.65) SLC22A12SLC2A9XDHKDM4EPOLB
SCHEMBL28635972 0.77 SLC22A12 (0.52) SLC22A12SLC2A9XDHKDM4EPOLB
SCHEMBL17387036 0.76 MAPT (0.62) SLC22A12SLC2A9XDHPOLBMAPT
SCHEMBL17387104 0.76 MEN1 (0.62) POLBMAPTMEN1KMT2ACYP19A1

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