SCHEMBL28069334

SCHEMBL28069334

O=C(O)c1cc(C(=O)O)cc(-c2nc(-c3cc(C(=O)O)cc(C(=O)O)c3)nc(-c3cc(C(=O)O)cc(C(=O)O)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54
HIF1A Q16665 1/20 0.54
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
DHODH Q02127 2/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
TPMT P51580 3/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CA3 P07451 1/20 0.44
MAPT P10636 1/20 0.44
SELL P14151 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
SCHEMBL21257119 0.87 DHODH (0.46) TSHRALOX15HIF1ADHODHTP53
SCHEMBL21257134 0.86 ALOX15 (0.46) TSHRALOX15HIF1ACA12CA1
SCHEMBL21257103 0.86 ALOX15 (0.46) TSHRALOX15HIF1ACA12CA1
SCHEMBL17114298 0.84 TSHR (0.48) TSHRALOX15HIF1ACA12CA1
SCHEMBL145349 0.83 DHODH (0.58) TSHRALOX15HIF1ACA12CA1
SCHEMBL21257102 0.82 TSHR (0.46) TSHRALOX15HIF1ACA12CA1
SCHEMBL17114228 0.82 TSHR (0.46) TSHRALOX15HIF1ACA12CA1
SCHEMBL16271136 0.80 DHODH (0.56) TSHRALOX15HIF1ACA12CA1
SCHEMBL12203147 0.80 DHODH (0.57) TSHRALOX15HIF1ACA12CA1
SCHEMBL15521765 0.80 DHODH (0.57) TSHRALOX15HIF1ACA12CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732678-B Rare earth organic framework materials for biological tissue and the sensing imaging of cell interior fluorescence temperature and preparation method thereof 浙江大学 2017-10-13 CN claimed
CN-105732678-B Rare earth organic framework materials for biological tissue and the sensing imaging of cell interior fluorescence temperature and preparation method thereof 浙江大学 2017-10-13 CN disclosed
CN-105732678-A Rare-earth organic framework material for fluorescent temperature sensation imaging in biological tissue and cells and preparation method thereof 浙江大学 2016-07-06 CN disclosed