SCHEMBL27680430

SCHEMBL27680430

COc1cc2c(c(OC)c1OC)C(=O)C(O)C(Cl)(c1ccccc1)O2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.48
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 7/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 2/20 0.35
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL28760424 0.91 XDH (0.52) XDHMAPTTDP1MEN1GAA
SCHEMBL27660446 0.75 MAPT (0.43) XDHMAPTTDP1MEN1GAA
SCHEMBL27680435 0.71 MAPT (0.38) XDHMAPTTDP1MEN1GAA
SCHEMBL27660508 0.68 MEN1 (0.51) XDHMAPTTDP1MEN1GAA
SCHEMBL28497777 0.67 NPC1 (0.47) XDHMAPTTDP1MEN1GAA
SCHEMBL27660441 0.67 XDH (0.47) XDHMAPTTDP1MEN1GAA
SCHEMBL7739870 0.66 EDNRB (0.41) XDHMAPTTDP1MEN1GAA
SCHEMBL29500460 0.65 RIPK1 (0.53) MAPTTDP1MEN1GAAKMT2A
SCHEMBL16246533 0.64 MAOB (0.52) XDHMAPTMEN1KMT2AALDH1A1
SCHEMBL11109058 0.64 MEN1 (0.41) XDHMAPTTDP1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1990482-B Flavanonol compounds and their production method and use ZHEJIANG HISUN PHARM CO LTD 2010-12-08 CN claimed
CN-1990482-A Flavanonol compounds and their production method and use ZHEJIANG HISUN NATURELITE PHAR (CN) 2007-07-04 CN claimed
CN-1990482-B Flavanonol compounds and their production method and use ZHEJIANG HISUN PHARM CO LTD 2010-12-08 CN disclosed
CN-1990482-A Flavanonol compounds and their production method and use ZHEJIANG HISUN NATURELITE PHAR (CN) 2007-07-04 CN disclosed