SCHEMBL28025904

SCHEMBL28025904

COc1cc(OC(=O)C=O)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
HPGD P15428 2/20 0.54
TRIM24 O15164 1/20 0.54
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
RAB9A P51151 1/20 0.51
NFE2L2 Q16236 3/20 0.50
HTT P42858 2/20 0.50
EPHX2 P34913 1/20 0.50
CYP2D6 P10635 3/20 0.49
NFKB1 P19838 3/20 0.49
CYP1A2 P05177 2/20 0.49
ALOX5 P09917 2/20 0.49
HSD11B1 P28845 2/20 0.49

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
SCHEMBL3225432 0.86 CA12 (0.55) ALDH1A1TDP1HPGDKMT2AHTT
SCHEMBL6767181 0.85 TRPA1 (0.53) ALDH1A1TDP1HPGDTRIM24ALDH5A1
SCHEMBL6010169 0.84 CA12 (0.53) ALDH1A1TDP1HPGDKMT2AHTT
SCHEMBL377390 0.82 SLC22A6 (0.55) ALDH1A1TDP1HPGDTRIM24ALDH5A1
SCHEMBL28945284 0.81 MEN1 (0.53) ALDH1A1TDP1HPGDTRIM24ALDH5A1
SCHEMBL5575505 0.79 SLC22A6 (0.51) ALDH1A1TDP1HPGDTRIM24ALDH5A1
SCHEMBL15394759 0.79 ALDH1A1 (0.58) ALDH1A1TDP1HPGDTRIM24ALDH5A1
SCHEMBL2127610 0.78 KMT2A (0.50) ALDH1A1TDP1HPGDMEN1KMT2A
SCHEMBL595280 0.77 MAOB (0.64) ALDH1A1TDP1HPGDTRIM24ALDH5A1
SCHEMBL28497994 0.77 TSHR (0.50) ALDH1A1TDP1HPGDTRIM24ALDH5A1

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-104903283-A Catalysts for the mechanocatalytic oxidative depolymerization of polymer-containing materials and methods of making oxidized reaction products using same UNIV CENTRAL FLORIDA RES FOUND 2015-09-09 CN disclosed