SCHEMBL29987643

SCHEMBL29987643

COc1ccc(C(C)c2ccc(O)c(C=O)c2)cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.53
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TYR P14679 2/20 0.45
TRIM24 O15164 2/20 0.45
TRIM33 Q9UPN9 2/20 0.45
AOX1 Q06278 1/20 0.45
HPGD P15428 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL28804744 1.00 ERN1 (0.53) ERN1ALDH1A1TDP1TYRTRIM24
SCHEMBL31063006 0.80 ERN1 (0.55) ERN1ALDH1A1TDP1TYRAOX1
SCHEMBL985519 0.80 ERN1 (0.55) ERN1ALDH1A1TDP1TYRAOX1
SCHEMBL2730150 0.80 ERN1 (0.54) ERN1ALDH1A1TDP1TYRTRIM24
SCHEMBL28804716 0.77 CDK1 (0.61) ERN1ALDH1A1TDP1TRIM24TRIM33
SCHEMBL29988597 0.77 CDK1 (0.61) ERN1ALDH1A1TDP1TRIM24TRIM33
SCHEMBL29988598 0.77 CDK1 (0.61) ERN1ALDH1A1TDP1TRIM24TRIM33
SCHEMBL1527156 0.77 TYR (0.72) ERN1ALDH1A1TDP1TYRTRIM24
SCHEMBL7587589 0.76 ERN1 (0.48) ERN1ALDH1A1TDP1TSHRKDM4E
SCHEMBL14354420 0.75 TYR (0.55) ERN1TDP1TYRTRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204485-B Synthesis method and application of bis-salicylaldehyde-condensed 2-pyridine formhydrazide Schiff base 哈尔滨理工大学 2022-08-09 CN disclosed
CN-110204485-B Synthesis method and application of bis-salicylaldehyde-condensed 2-pyridine formhydrazide Schiff base 哈尔滨理工大学 2022-08-09 CN disclosed