SCHEMBL28877438

SCHEMBL28877438

COC(c1cc(O)c(C(=O)O)cc1O)c1cc(O)c(S(=O)(=O)O)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
GRM1 Q13255 1/20 0.38
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.33
MPL P40238 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN2A Q12879 1/20 0.32

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
SCHEMBL28877508 0.88 LMNA (0.36) ALDH1A1KMT2ALMNAMAPTHSD17B10
SCHEMBL28877381 0.87 GRM1 (0.47) ALDH1A1KMT2ALMNAMAPTGRM1
SCHEMBL28877391 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAMAPTGRM1
SCHEMBL28957895 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ALMNAMAPTHSD17B10
SCHEMBL28877484 0.82 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAMAPTGRM1
SCHEMBL28957909 0.82 GRM1 (0.39) ALDH1A1KMT2ALMNAMAPTGRM1
SCHEMBL23796606 0.72 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTGRM1
SCHEMBL30031345 0.72 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTGRM1
SCHEMBL23796753 0.71 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAMAPTHSD17B10
SCHEMBL30031779 0.71 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAMAPTHSD17B10

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-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 CN claimed