SCHEMBL30541650

SCHEMBL30541650

O=Cc1c(O)cccc1O.[Na]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.52
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PADI4 Q9UM07 1/20 0.44
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
EGFR P00533 2/20 0.43
LMNA P02545 2/20 0.43
FYN P06241 2/20 0.43
MMP9 P14780 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
RECQL P46063 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL311198 0.97 ERN1 (0.54) ERN1TRIM24TRIM33ALDH1A1TDP1
SCHEMBL30522433 0.94 ERN1 (0.52) ERN1TRIM24TRIM33ALDH1A1TDP1
SCHEMBL29220003 0.94 ERN1 (0.52) ERN1TRIM24TRIM33ALDH1A1TDP1
Charcoal, Activated SCHEMBL29407959 0.94 ERN1 (0.52) ERN1TRIM24TRIM33ALDH1A1TDP1
Water SCHEMBL30515441 0.92 ERN1 (0.50) ERN1TRIM24TRIM33ALDH1A1TDP1
SCHEMBL1302180 0.82 ERN1 (0.64) ERN1TRIM24TRIM33ALDH1A1TDP1
SCHEMBL412923 0.80 TRPA1 (0.50) ERN1TRIM24TRIM33ALDH1A1TDP1
SCHEMBL634389 0.80 ALOX15 (0.48) ERN1TRIM24TRIM33ALDH1A1TDP1
SCHEMBL913980 0.80 ERN1 (0.52) ERN1TRIM24TRIM33ALDH1A1TDP1
SCHEMBL3685875 0.80 ERN1 (0.45) ERN1TRIM24TRIM33ALDH1A1TDP1

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-112264015-B Preparation method of wastewater oxidation treatment catalyst 湖南速博生物技术有限公司 2023-07-25 CN claimed