SCHEMBL13656044

SCHEMBL13656044

COCCCNC(=O)C(CC(=O)NCCNCCN)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ GRIA1 P42261 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA13 Q8N1Q1 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 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
SCHEMBL13656048 0.86 SIRT6 (0.55) SIRT6SIRT1GRIA1GRIN1GRIN2A
SCHEMBL22929126 0.78 TSHR (0.42) TSHRALDH1A1HPGDKDM4ELMNA
SCHEMBL16489221 0.77 TSHR (0.66) TSHRALDH1A1HPGDKDM4ELMNA
SCHEMBL16328487 0.77 SIRT6 (0.34) SIRT6SIRT1GRIA1PSMB11PSMD11
SCHEMBL16328495 0.77 SIRT6 (0.34) SIRT6SIRT1GRIA1PSMB11PSMD11
SCHEMBL16328488 0.77 SIRT6 (0.34) SIRT6SIRT1GRIA1PSMB11PSMD11
SCHEMBL16328489 0.77 SIRT6 (0.34) SIRT6SIRT1GRIA1PSMB11PSMD11
SCHEMBL10020956 0.76 TSHR (0.39) TSHRALDH1A1HPGDTLR2CHRNA1
SCHEMBL13656046 0.75 HPGD (0.32) GRIA1TSHRALDH1A1HPGD
SCHEMBL13043697 0.73 TSHR (0.34) TSHRALDH1A1HPGD

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-20090258416-A1 POLYMER MICELLE COMPLEX INCLUDING NUCLEIC ACID THE UNIVERSITY OF TOKYO (JP) 2009-10-15 — — US disclosed
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