SCHEMBL29082634

SCHEMBL29082634

O=Cc1c(O)cccc1O.O=Cc1cc(O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
ERN1 O75460 10/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNA7 P36544 1/20 0.45
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL36835 0.86 ERN1 (0.61) TRIM24TRIM33ERN1ALDH1A1MAPT
SCHEMBL4456289 0.84 ERN1 (0.59) TRIM24TRIM33ERN1ALDH1A1MAPT
Hydroquinone SCHEMBL11562733 0.84 ERN1 (0.59) TRIM24TRIM33ERN1ALDH1A1MAPT
Formamide SCHEMBL28912568 0.80 ERN1 (0.55) TRIM24TRIM33ERN1ALDH1A1MAPT
Formaldehyde SCHEMBL28912569 0.80 ERN1 (0.55) TRIM24TRIM33ERN1ALDH1A1MAPT
SCHEMBL311198 0.79 ERN1 (0.54) TRIM24TRIM33ERN1ALDH1A1MAPT
Sulfurous Acid SCHEMBL11594092 0.79 ERN1 (0.53) TRIM24TRIM33ERN1ALDH1A1MAPT
SCHEMBL30522433 0.77 ERN1 (0.52) TRIM24TRIM33ERN1ALDH1A1MAPT
SCHEMBL29220003 0.77 ERN1 (0.52) TRIM24TRIM33ERN1ALDH1A1MAPT
Charcoal, Activated SCHEMBL29407959 0.77 ERN1 (0.52) TRIM24TRIM33ERN1ALDH1A1MAPT

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-116830040-A Photopolymerizable compositions 西托斯股份公司 2023-09-29 CN disclosed