SCHEMBL28464321

SCHEMBL28464321

O=C(CO)Oc1ccc(I)cc1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ESR1 P03372 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ APP P05067 2/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ TPMT P51580 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL1931453 0.87 KMT2A (0.54) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL27483364 0.79 KMT2A (0.44) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL4246892 0.79 KMT2A (0.63) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL4642156 0.78 KMT2A (0.47) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL26426693 0.78 OPRK1 (0.49) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL7566982 0.77 KMT2A (0.53) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL4643749 0.77 LMNA (0.58) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL11719853 0.77 KMT2A (0.45) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL4643302 0.77 KMT2A (0.45) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL7259887 0.77 KMT2A (0.57) KMT2ALMNAALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732488-A Plant selenium-rich, germanium-rich and strontium-rich nutrition enhancer and preparation method and application thereof 武汉九道康生物科技有限公司 2020-10-02 — — CN disclosed
CN-111732474-A Plant selenium-rich nutrition enhancer and preparation method and application thereof 武汉九道康生物科技有限公司 2020-10-02 — — CN disclosed
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