SCHEMBL28568883

SCHEMBL28568883

O=Cc1ccccc1-c1c(O)c(-c2ccccc2C=O)c(O)c(-c2ccccc2C=O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ERN1 O75460 6/20 0.50
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
PADI4 Q9UM07 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL8679680 0.82 ERN1 (0.52) TRIM24TRIM33MEN1LMNATHRB
SCHEMBL31175932 0.80 KMT2A (0.71) TRIM24TRIM33MEN1LMNATHRB
SCHEMBL249552 0.80 KMT2A (0.71) TRIM24TRIM33MEN1LMNATHRB
SCHEMBL702795 0.79 LMNA (0.55) TRIM24TRIM33MEN1LMNATHRB
SCHEMBL31588841 0.78 KMT2A (0.67) TRIM24TRIM33MEN1LMNATHRB
SCHEMBL12760781 0.77 TRIM24 (0.67) TRIM24TRIM33MEN1LMNATHRB
SCHEMBL976750 0.77 LMNA (0.52) TRIM24TRIM33MEN1LMNATHRB
SCHEMBL31364059 0.77 ERN1 (0.55) TRIM24TRIM33MEN1LMNATHRB
SCHEMBL1043113 0.77 ERN1 (0.55) TRIM24TRIM33MEN1LMNATHRB
SCHEMBL7009296 0.77 ERN1 (0.67) TRIM24TRIM33MEN1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109158086-B Method for ultrasensitively analyzing trace polybrominated diphenyl ethers in water 山东省分析测试中心 2021-06-15 CN disclosed