SCHEMBL28860686

SCHEMBL28860686

CC=CC(=O)OCCOc1c(Br)cc(C(CC)c2cc(Br)c(OCCOC(=O)C=CC)c(Br)c2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.40
THRA P10827 8/20 0.40
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
FOXO1 Q12778 2/20 0.34
GSTP1 P09211 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL21496000 0.82 THRB (0.50) THRBTHRAFOXO1GSTP1HRH3
SCHEMBL23293901 0.79 ALDH1A1 (0.43) THRBTHRAKDM4EFOXO1GSTP1
SCHEMBL10428604 0.78 THRB (0.39) THRBTHRAKDM4EMEN1KMT2A
SCHEMBL28237336 0.77 THRB (0.46) THRBMEN1KMT2AALDH1A1TDP1
SCHEMBL11865899 0.74 THRB (0.40) THRBTHRAKDM4EMEN1KMT2A
SCHEMBL5590860 0.72 THRB (0.39) THRBTHRAKDM4EMEN1KMT2A
SCHEMBL11865894 0.72 HCAR2 (0.49) THRBTHRAKDM4EMEN1KMT2A
SCHEMBL28269392 0.71 TDP1 (0.43) MEN1KMT2AALDH1A1TDP1HCAR2
SCHEMBL28419815 0.69 GSTP1 (0.38) THRBTHRAGSTP1HCAR2
SCHEMBL28796088 0.69 THRB (0.41) THRBTHRAKDM4EMEN1KMT2A

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-108136745-A Stack membrane 东丽株式会社 2018-06-08 CN disclosed