SCHEMBL28301366

SCHEMBL28301366

CCOCc1c(F)cc(CC(=O)O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.45
THRA P10827 6/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
CA2 P00918 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
RXRA P19793 3/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
SRD5A2 P31213 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
PPARG P37231 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.35
PTGS1 P23219 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL28700777 0.83 THRB (0.40) THRBTHRAPTGDR2CA2CAMK2A
SCHEMBL12197597 0.80 THRB (0.51) THRBTHRACA2CAMK2ARXRA
SCHEMBL29140559 0.75 THRB (0.46) THRBTHRAFFAR4CA2CAMK2A
SCHEMBL30638385 0.75 THRB (0.46) THRBTHRAFFAR4CA2CAMK2A
SCHEMBL2345245 0.74 FFAR1 (0.44) THRBTHRAFFAR4RXRARXRB
SCHEMBL26729959 0.72 HDAC1 (0.44) THRBTHRACA2CAMK2ARXRA
SCHEMBL908287 0.72 CES2 (0.46) THRBCA2CAMK2ASRD5A2HPGD
SCHEMBL2126253 0.72 THRB (0.46) THRBTHRARXRARXRBRXRG
SCHEMBL299357 0.70 GAA (0.47) THRBTHRACA2CAMK2ARXRA
SCHEMBL5037861 0.70 TAAR1 (0.47) FFAR4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109809383-B Synthesis method of cabbage black rot pathogen resistant selenium carbon material 扬州大学 2022-03-22 CN claimed
CN-109809383-B Synthesis method of cabbage black rot pathogen resistant selenium carbon material 扬州大学 2022-03-22 CN disclosed
CN-109809383-A A kind of synthetic method of anti-cabbage black rot bacterium selenium carbon material 扬州大学 2019-05-28 CN disclosed