SCHEMBL4411103

SCHEMBL4411103

COC(OC)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.55
AOC3 Q16853 2/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2A6 P11509 2/20 0.50
SLC6A2 P23975 5/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 5/20 0.49
CYP2D6 P10635 4/20 0.49
CYP3A4 P08684 3/20 0.49
KCNH2 Q12809 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL16174482 0.92 AOC3 (0.54) UGT2B7AOC3CYP1A2CYP2A6SLC6A2
SCHEMBL8582858 0.82 CYP1A2 (0.55) CYP1A2CYP2A6TSHRTDP1
SCHEMBL1753651 0.81 UGT2B7 (0.59) UGT2B7AOC3CYP1A2CYP2A6SLC6A2
SCHEMBL1070797 0.81 ABCB11 (0.58) CYP1A2CYP2A6TSHRTDP1
SCHEMBL7699358 0.79 UGT2B7 (0.52) UGT2B7AOC3CYP1A2CYP2A6SLC6A2
SCHEMBL2650436 0.79 UGT2B7 (0.52) UGT2B7AOC3CYP1A2CYP2A6SLC6A2
SCHEMBL20976148 0.79 UGT2B7 (0.62) UGT2B7AOC3CYP1A2CYP2A6SLC6A2
SCHEMBL15345447 0.79 AOC3 (0.54) UGT2B7AOC3CYP1A2CYP2A6SLC6A2
SCHEMBL21137385 0.78 UGT2B7 (0.42) UGT2B7AOC3CYP1A2CYP2A6SLC6A2
SCHEMBL9179436 0.77 UGT2B7 (0.71) UGT2B7AOC3CYP1A2CYP2A6CYP2D6

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003488-A Glycosyl donor for beta selective glycosylation reaction, and preparation method and application thereof 中山大学 2023-04-25 CN claimed
CN-113214335-A Lipid X intermediate and preparation method thereof 上海医药工业研究院 2021-08-06 CN claimed
US-7582737-B2 Orthogonally protected disaccharide building blocks for synthesis of heparin oligosaccharides ACADEMIA SINICA (TW) 2009-09-01 US claimed
WO-2024168123-A1 SYNTHESIS OF CORE 2 O-SIALYL LEWIS-X POLYSACCHARIDES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2024-08-15 WO disclosed
CN-113527386-B Intermediate of vaccine adjuvant MPLA, synthesis and application 上海医药工业研究院 2024-03-29 CN disclosed
CN-113527050-B Intermediate of vaccine adjuvant MPLA, synthesis and application 上海医药工业研究院 2024-02-02 CN disclosed
CN-113527397-B Intermediate of vaccine adjuvant MPLA, synthesis and application 上海医药工业研究院 2024-02-02 CN disclosed
CN-113527396-B Intermediate of vaccine adjuvant MPLA, synthesis and application 上海医药工业研究院 2024-02-02 CN disclosed
CN-117362375-A Intermediate for synthesizing 3D-MPL, preparation method and application thereof 成都迈科康生物科技有限公司 2024-01-09 CN disclosed
CN-113527384-B Intermediate of vaccine adjuvant MPLA, synthesis and application 上海医药工业研究院 2023-10-27 CN disclosed
CN-113527382-B Intermediate of vaccine adjuvant MPLA, synthesis and application 上海医药工业研究院 2023-09-29 CN disclosed
WO-2020132625-A1 SYNTHESIS OF DISACCHARIDE BLOCKS FROM NATURAL POLYSACCHARIDES FOR HEPARAN SULFATE OLIGOSACCHARIDE ASSEMBLY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-06-25 WO disclosed
CN-107880082-A 6 \" O function bases KRN7000 of one kind preparation method 复旦大学 2018-04-06 CN disclosed
CN-103534238-B Total synthesis of redox active 1, 4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistosomimetics 国家科研中心 2018-01-02 CN disclosed
CN-104994845-A Quinone based nitric oxide donating compounds for ophthalmic use NICOX SA 2015-10-21 CN disclosed
EP-0788504-B1 STEREODIRECTED PROCESS FOR SYNTHESIS OF ALPHA-N-ACETYLGALACTOSAMINIDES BIOMIRA INC (CA) 2002-09-04 EP disclosed
US-5837830-A CHEMICAL INTERMEDIATES OFR PREPARING OLIGOSACCHARIDES, GLYCOSYLAMINO ACIDS, GLYCOPEPTIDES WHICH ARE USEFUL IN TREATING AND DIAGNOSING CANCERS AND OTHER DISEASES BIOMIRA, INC. (CA) 1998-11-17 US disclosed
EP-0788504-A1 STEREODIRECTED PROCESS FOR SYNTHESIS OF ALPHA-N-ACETYLGALACTOSAMINIDES BIOMIRA, INC. (CA) 1997-08-13 EP disclosed
US-5527891-A REACTING N-ACETYLGALACTOSAMINE WITH DIALKYL ACETAL OF ALDEHYDE OR KETONE, PROTECTING 3-HYDROXY GROUP, INTRODUCING ANOMERIC GROUP TO FORM GLYCOSYL DONOR, REACTING WITH ALCOHOL BIOMIRA, INC. (CA) 1996-06-18 US disclosed
WO-1995024701-A1 STEREODIRECTED PROCESS FOR SYNTHESIS OF α-N-ACETYLGALACTOSAMINIDES BIOMIRA, INC. (CA) 1995-09-14 WO disclosed