SCHEMBL28630190

SCHEMBL28630190

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.52
ROR1 Q01973 1/20 0.48
SLC22A12 Q96S37 6/20 0.45
SLC2A9 Q9NRM0 2/20 0.45
XDH P47989 1/20 0.45
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPI P09923 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALPG P10696 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOB P27338 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL30179859 1.00 CYP19A1 (0.52) CYP19A1ROR1SLC22A12SLC2A9XDH
SCHEMBL5421488 0.85 ROR1 (0.57) CYP19A1ROR1ACHEMEN1POLB
SCHEMBL28635979 0.72 SLC22A12 (0.76) CYP19A1SLC22A12SLC2A9XDHKDM4E
SCHEMBL25437506 0.72 MAOB (0.74) CYP19A1ROR1KDM4EMAPTCYP3A4
SCHEMBL5421506 0.71 CYP19A1 (0.38) CYP19A1ROR1POLB
SCHEMBL28635972 0.70 SLC22A12 (0.52) CYP19A1SLC22A12SLC2A9XDHACHE
SCHEMBL13140976 0.69 SLC22A12 (0.64) CYP19A1SLC22A12SLC2A9XDHKDM4E
SCHEMBL5518672 0.69 SLC22A12 (0.77) CYP19A1SLC22A12SLC2A9XDHKDM4E
SCHEMBL22465343 0.69 PDCD1 (0.51) CYP19A1ROR1ACHEMAPTKMT2A
SCHEMBL22465743 0.69 PDCD1 (0.55) CYP19A1ROR1XDHACHEPOLB

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