SCHEMBL29955030

SCHEMBL29955030

COc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
TUBB1 Q9H4B7 1/20 0.42
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
STS P08842 1/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
CDC42 P60953 1/20 0.36
RAC1 P63000 1/20 0.36
CYP1A2 P05177 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
SCHEMBL1497620 1.00 NR1H2 (0.46) NR1H2ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL29953334 0.90 NR1H2 (0.45) NR1H2ALDH1A1KDM4ECA12CA9
SCHEMBL513258 0.90 NR1H2 (0.45) NR1H2ALDH1A1KDM4ECA12CA9
SCHEMBL2562727 0.86 KCNQ3 (0.41) NR1H2KDM4ECA12CA9
SCHEMBL29764626 0.84 CA12 (0.40) NR1H2ATRATRIPCA12CA9
SCHEMBL1623033 0.84 CA12 (0.40) NR1H2ATRATRIPCA12CA9
SCHEMBL29957250 0.84 NR1H2 (0.44) NR1H2ATRATRIPCA12CA9
SCHEMBL17690271 0.84 ESR2 (0.40) NR1H2CA12CA9
SCHEMBL593975 0.84 NR1H2 (0.44) NR1H2ATRATRIPCA12CA9
SCHEMBL15332131 0.83 NR1H2 (0.37) NR1H2ATRATRIPCA12CA9

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
WO-2025092756-A1 LIPID COMPOUND AND COMPOSITION THEREOF GUANGZHOU RIBOBIO CO., LTD. (CN) 2025-05-08 WO disclosed
CN-119912351-A Lipid compounds and compositions thereof 广州市锐博生物科技有限公司 2025-05-02 CN disclosed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed