SCHEMBL28532508

SCHEMBL28532508

C=CC(=O)OB(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.42
AKT1 P31749 1/20 0.41
ORAI1 Q96D31 3/20 0.38
ORAI2 Q96SN7 3/20 0.38
ORAI3 Q9BRQ5 3/20 0.38
TRPV6 Q9H1D0 3/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
ENPP2 Q13822 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
TGM2 P21980 2/20 0.37
THRA P10827 1/20 0.33
CYP3A4 P08684 2/20 0.32
TYMS P04818 1/20 0.31
P4HB P07237 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL16987296 0.81 THRB (0.40) THRBAKT1ORAI1ORAI2ORAI3
SCHEMBL14334371 0.80 ALDH1A1 (0.49) THRBAKT1CA4CA7ENPP2
SCHEMBL56273 0.78 ORAI1 (0.42) THRBORAI1ORAI2ORAI3TRPV6
SCHEMBL1672441 0.77 ORAI1 (0.46) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL28715212 0.77 ALDH1A1 (0.40) THRBAKT1ORAI1ORAI2ORAI3
SCHEMBL28664851 0.75 TRPV6 (0.44) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL651370 0.74 ORAI1 (0.42) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL20916961 0.74 LMNA (0.54) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL384014 0.74 ORAI1 (0.42) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL1789520 0.73 PKM (0.42) ORAI1ORAI2ORAI3TRPV6CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533910-B Monoethylenically unsaturated monomers and their use 博斯蒂克股份公司 2024-05-10 CN claimed
CN-114748637-A Phenylboronic acid modified nano-crystal drug stabilizing system and preparation method and application thereof 中国药科大学 2022-07-15 CN claimed
CN-114712520-A Nanocrystalline drug stabilizing system, preparation method, pharmaceutical composition and application 中国药科大学 2022-07-08 CN claimed
CN-112533910-A Monoethylenically unsaturated monomers and their use 博斯蒂克股份公司 2021-03-19 CN claimed
CN-112533910-B Monoethylenically unsaturated monomers and their use 博斯蒂克股份公司 2024-05-10 CN disclosed
CN-114712520-B Nanocrystalline drug stabilization system, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 CN disclosed
CN-114748637-B Phenylboronic acid modified nanocrystalline drug stabilization system and preparation method and application thereof 中国药科大学 2023-11-17 CN disclosed
CN-114748637-A Phenylboronic acid modified nano-crystal drug stabilizing system and preparation method and application thereof 中国药科大学 2022-07-15 CN disclosed
CN-114712520-A Nanocrystalline drug stabilizing system, preparation method, pharmaceutical composition and application 中国药科大学 2022-07-08 CN disclosed
CN-112533910-A Monoethylenically unsaturated monomers and their use 博斯蒂克股份公司 2021-03-19 CN disclosed