SCHEMBL28337553

SCHEMBL28337553

CC(OCCOCCO)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
APLNR P35414 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL21877204 0.86 APLNR (0.32) MEN1KMT2AAPLNRCA1CA2
SCHEMBL28673657 0.85 APLNR (0.31) APLNR
SCHEMBL28337567 0.85 NOS1 (0.32) APLNRNOS1NOS3NOS2
SCHEMBL1696184 0.82 MEN1 (0.38) MEN1KMT2AAPLNRCA1CA2
SCHEMBL7561602 0.80 MEN1 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21877017 0.80 CA12 (0.33) TSHRAPLNRTDP1CA1CA2
SCHEMBL12171728 0.80 MEN1 (0.35) MEN1KMT2ATHRBHTTMAPT
SCHEMBL13477861 0.79 MEN1 (0.38) MEN1KMT2ATHRBHTTMAPT
SCHEMBL20253994 0.79 ALDH1A1 (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL18105903 0.79 ALDH1A1 (0.41) MEN1KMT2ATHRBHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117980327-A Specific coupling of antibodies 杭州多禧生物科技有限公司 2024-05-03 CN disclosed
CN-116194084-A Cleavable lipid compounds, compositions containing the same and uses thereof 赛诺菲巴斯德有限公司 2023-05-30 CN disclosed
CN-116143678-A Conjugate linker, cell-binding molecule-drug conjugate containing the same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-05-23 CN disclosed
CN-115942958-A Phthalocyanine dye compounds, conjugates and methods of use thereof 乐天医药生技股份有限公司 2023-04-07 CN disclosed
CN-110099682-B Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-03-31 CN disclosed
CN-115300640-A Novel linkers and their use for specific coupling of drugs and biomolecules 杭州多禧生物科技有限公司 2022-11-08 CN disclosed
CN-115181164-A Derivatives of amatoxins and their coupling to cell binding molecules 杭州多禧生物科技有限公司 2022-10-14 CN disclosed
CN-109689107-B Derivatives of amatoxins and their coupling to cell binding molecules 杭州多禧生物科技有限公司 2022-08-16 CN disclosed
CN-108289964-B Novel linkers and their use for specific coupling of drugs and biomolecules 杭州多禧生物科技有限公司 2022-08-12 CN disclosed
CN-114040778-A Cell binding molecule-Tubulysin derivative conjugate and preparation method thereof 杭州多禧生物科技有限公司 2022-02-11 CN disclosed
CN-113382754-A Compounds, compositions, methods and uses for treating cancer and immune disorders IL-2RX公司 2021-09-10 CN disclosed
CN-113195487-A 2, 3-diaminosuccinyl conjugate linkers 杭州多禧生物科技有限公司 2021-07-30 CN disclosed
CN-112272669-A Cross-linked pyrrolobenzodiazepine dimer (PBD) derivatives and conjugates thereof 杭州多禧生物科技有限公司 2021-01-26 CN disclosed
CN-105524053-B Tetrahydrobenzothiophene compounds 广东东阳光药业有限公司 2020-06-05 CN disclosed
CN-110621673-A Double-stranded linked cytotoxic drug conjugates 杭州多禧生物科技有限公司 2019-12-27 CN disclosed