SCHEMBL9908649

SCHEMBL9908649

COc1ccc(C(OCC2C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)CN2C(=O)CCOCCOCCOCCOCCN2C(=O)c3ccccc3C2=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
GAA P10253 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
HSD17B10 Q99714 2/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11992573 0.94 SLC6A11 (0.34) SLC6A1SLC6A11GAAMMP2MMP9
SCHEMBL12209383 0.92 ALDH1A1 (0.34) SLC6A1SLC6A11GAAMMP2MMP9
SCHEMBL11992545 0.92 ALDH1A1 (0.34) SLC6A1SLC6A11GAAMMP2MMP9
SCHEMBL15369129 0.90 SLC6A1 (0.31) SLC6A1SLC6A11MMP2MMP9HSD17B10
SCHEMBL16938709 0.86 SLC6A1 (0.32) SLC6A1SLC6A11
SCHEMBL16299839 0.86 SLC6A11 (0.35) SLC6A1SLC6A11MEN1KMT2A
SCHEMBL2997021 0.85 SLC6A11 (0.37) SLC6A1SLC6A11MEN1KMT2A
SCHEMBL26302696 0.85 SLC6A11 (0.33) SLC6A1SLC6A11MMP9MEN1KMT2A
SCHEMBL21662396 0.85 SLC6A11 (0.36) SLC6A1SLC6A11MEN1KMT2A
SCHEMBL11992564 0.84 SLC6A1 (0.33) SLC6A1SLC6A11

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-20170107511-A1 OLIGONUCLEOTIDE END CAPS BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9512164-B2 Oligonucleotide end caps ALNYLAM PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-9512164-B2 Oligonucleotide end caps ALNYLAM PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20120142101-A1 OLIGONUCLEOTIDE END CAPS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed