SCHEMBL13300774

SCHEMBL13300774

CC(C)(C)c1ccc(O)c(-n2n3c4ccc(C(=O)OCCOC(=O)c5ccc6c(c5)n5n(-c7cc(C(C)(C)C)ccc7O)n65)cc4n23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ESR1 P03372 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.37
▸ ESRRG P62508 2/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SERPINE1 P05121 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL13300775 0.97 SERPINE1 (0.39) KDM4EPOLBHDAC6ESR1CA12
SCHEMBL13300785 0.92 KDM4E (0.36) KDM4EPOLBHDAC6ESR1CA12
SCHEMBL13300799 0.92 TSHR (0.36) KDM4EPOLBHDAC6ESR1CA12
SCHEMBL13159278 0.92 POLB (0.34) KDM4EPOLBHDAC6ESR1CA12
SCHEMBL13400030 0.92 KDM4E (0.34) KDM4EPOLBHDAC6ESR1CA12
SCHEMBL812950 0.92 POLB (0.34) KDM4EPOLBHDAC6ESR1CA12
SCHEMBL13300806 0.91 CA12 (0.36) KDM4EPOLBHDAC6ESR1CA12
SCHEMBL13300778 0.91 SERPINE1 (0.44) KDM4EPOLBHDAC6ESR1CA12
SCHEMBL13300814 0.90 SERPINE1 (0.34) KDM4EPOLBHDAC6ESR1MEN1
SCHEMBL14422746 0.89 SERPINE1 (0.34) KDM4EPOLBHDAC6ESR1CA12

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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