SCHEMBL28635981

SCHEMBL28635981

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.41
SLC2A9 Q9NRM0 2/20 0.41
XDH P47989 1/20 0.41
SRD5A1 P18405 1/20 0.38
ESR1 P03372 3/20 0.36
ESR2 Q92731 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
AKR1B10 O60218 2/20 0.36
AKR1B1 P15121 2/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
MAOA P21397 1/20 0.36
PDE5A O76074 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 1/20 0.36
ALPI P09923 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5430100 0.82 ESR1 (0.43) SLC22A12SLC2A9XDHESR1ESR2
SCHEMBL28635976 0.77 KDM4E (0.32) KDM4EMAPT
SCHEMBL28635979 0.71 SLC22A12 (0.76) SLC22A12SLC2A9XDHESR1ESR2
SCHEMBL3368570 0.69 ESR1 (0.59) SLC22A12SLC2A9XDHESR1ESR2
SCHEMBL4951187 0.69 POLB (0.42) XDHABCG2KDM4EPOLBALPI
SCHEMBL1071070 0.68 ESR2 (0.51) ESR1ESR2AKR1B1MAOAKDM4E
SCHEMBL4525666 0.66 SRD5A1 (0.43) XDHSRD5A1ESR1ESR2AKR1B1
SCHEMBL2283832 0.66 CYP3A4 (0.49) ESR1ESR2AKR1B1MAOAKDM4E
SCHEMBL4758125 0.65 ESR2 (0.39) XDHESR1ESR2AKR1B1KDM4E
SCHEMBL3696621 0.64 KDM4E (0.54) ESR1ESR2KDM4EMEN1ALPL

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