SCHEMBL13300820

SCHEMBL13300820

CCC(COC(=O)c1ccc2c(c1)n1n(-c3cc(C(C)(C)C)ccc3O)n21)(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 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ HSD17B2 P37059 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ SERPINE1 P05121 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ CHRM2 P08172 1/20 0.32

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 0.95 CA12 (0.36) CA12CA1CA2CA7CA9
SCHEMBL13300807 0.93 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL13300778 0.90 SERPINE1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL13300774 0.88 KDM4E (0.39) CA12CA1CA2CA7CA9
SCHEMBL13300775 0.85 SERPINE1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL13300785 0.83 KDM4E (0.36) CA12CA1CA2CA7CA9
SCHEMBL13300799 0.83 TSHR (0.36) CA12CA1CA2CA7CA9
SCHEMBL13300797 0.82 PTPN1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13300803 0.82 PTPN1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL13300826 0.82 SIRT1 (0.38) CA12CA1CA2CA7CA9

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
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
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
Send feedback