SCHEMBL13400022

SCHEMBL13400022

C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)n1n(-c3cc(C(C)(C)CC(C)(C)C)ccc3O)n21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MDH1 P40925 10/20 0.38
▸ MDH2 P40926 10/20 0.38
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HIF1A Q16665 3/20 0.31
▸ ESR1 P03372 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31

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
SCHEMBL13400021 0.92 POLB (0.34) POLBKDM4EHDAC6ESR1APEX1
SCHEMBL13159278 0.91 POLB (0.34) POLBKDM4EHDAC6ESR1APEX1
SCHEMBL812950 0.91 POLB (0.34) POLBKDM4EHDAC6ESR1APEX1
SCHEMBL13300816 0.90 MDH1 (0.41) MDH1MDH2POLBKDM4EHDAC6
SCHEMBL14422746 0.88 SERPINE1 (0.34) POLBKDM4EHDAC6ESR1APEX1
SCHEMBL13400033 0.87 MDH1 (0.38) MDH1MDH2POLBKDM4EHDAC6
SCHEMBL13300818 0.85 MDH1 (0.41) MDH1MDH2HIF1AESR1CYP3A4
SCHEMBL13652837 0.84 — —
SCHEMBL812949 0.84 CA1 (0.37) POLBKDM4EHDAC6ESR1APEX1
SCHEMBL13159276 0.84 CA1 (0.37) POLBKDM4EHDAC6ESR1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100103352-A1 OPTICAL FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY AND ULTRAVIOLET ABSORBING POLYMER KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
US-20100103352-A1 OPTICAL FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY AND ULTRAVIOLET ABSORBING POLYMER KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
US-20100104775-A1 ULTRAVIOLET ABSORBING POLYMER, CELLULOSE ESTER OPTICAL FILM, METHOD OF PRODUCING CELLULOSE ESTER OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
US-20100104775-A1 ULTRAVIOLET ABSORBING POLYMER, CELLULOSE ESTER OPTICAL FILM, METHOD OF PRODUCING CELLULOSE ESTER OPTICAL FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY KONICA MINOLTA OPTO, INC. (JP) 2010-04-29 — — US disclosed
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