SCHEMBL13300778

SCHEMBL13300778

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.44
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ HSD17B2 P37059 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ESRRG P62508 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SRC P12931 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL13300806 0.93 CA12 (0.36) SERPINE1CA12CA1CA2CA7
SCHEMBL13300774 0.91 KDM4E (0.39) SERPINE1CA12CA1CA2CA7
SCHEMBL13300820 0.90 CA12 (0.37) SERPINE1CA12CA1CA2CA7
SCHEMBL13300818 0.89 MDH1 (0.41) SERPINE1CA12CA1CA2CA7
SCHEMBL13300819 0.89 SERPINE1 (0.40) SERPINE1CA12CA1CA2CA7
SCHEMBL13300775 0.88 SERPINE1 (0.39) SERPINE1CA12CA1CA2CA7
SCHEMBL13300807 0.88 CA12 (0.35) SERPINE1CA12CA1CA2CA7
SCHEMBL13300799 0.86 TSHR (0.36) CA12CA1CA2CA7CA9
SCHEMBL13300785 0.86 KDM4E (0.36) CA12CA1CA2CA7CA9
SCHEMBL13300797 0.85 PTPN1 (0.53) SERPINE1CA12CA1CA2CA7

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
US-20100137578-A1 CELLULOSE ESTER FILM FOR OPTICAL USE, AND POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY USING SUCH CELLULOSE ESTER FILM FOR OPTICAL USE KONICA MINOLTA OPTO, INC. (JP) 2010-06-03 — — US disclosed
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