SCHEMBL29630966

SCHEMBL29630966

[2H]c1cc(CO)ccc1OB(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
TSHR P16473 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
VHL P40337 1/20 0.31
ELOC Q15369 1/20 0.31
ELOB Q15370 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 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
SCHEMBL1251529 0.86 LTA4H (0.50) LTA4HPPARGPPARATSHRHRH3
SCHEMBL30567952 0.78 CALM1 (0.34) LTA4HHRH3CA1CA2
SCHEMBL28106068 0.76 PPARA (0.46) LTA4HPPARGPPARATSHRHRH3
SCHEMBL30760633 0.72 ENPP2 (0.40) LTA4HTSHRPRSS1PRSS2PRSS3
SCHEMBL8698899 0.71 TRPA1 (0.39) LTA4HTSHR
SCHEMBL28749909 0.69 CA2 (0.48) LTA4HPPARATSHRHRH3CA12
SCHEMBL30448711 0.69 MAPT (0.42) TSHRMEN1KMT2A
SCHEMBL3800806 0.68 CA1 (0.38) TSHRCA12CA1CA2CA7
SCHEMBL27489645 0.68 TDP1 (0.43) CA1CA2MEN1KMT2A
SCHEMBL30448398 0.68 TRPV6 (0.44) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116763791-A Compounds and methods of use thereof 普拉克西斯精密药物股份有限公司 2023-09-19 CN disclosed
CN-116322683-A Compounds as C5AR inhibitors 科越医药(苏州)有限公司 2023-06-23 CN disclosed
CN-110337295-B Compounds and methods of use thereof 普拉克西斯精密药物股份有限公司 2023-06-09 CN disclosed
CN-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 CN disclosed
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN disclosed