SCHEMBL9908646

SCHEMBL9908646

COc1ccc(C(OCC2C[C@@H](O)CN2C(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.47
SLC6A1 P30531 3/20 0.47
SLC6A12 P48065 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
KIF11 P52732 3/20 0.39
TYMP P19971 1/20 0.39
RIPK1 Q13546 1/20 0.37
NPY2R P49146 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3088920 0.92 SLC6A11 (0.48) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL15592424 0.89 SLC6A11 (0.45) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL16248722 0.88 SLC6A11 (0.44) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL14977891 0.86 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL12248426 0.86 POLB (0.46) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL24383294 0.85 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL9604514 0.85 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL31400135 0.85 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL16843276 0.85 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL9908645 0.85 SLC6A11 (0.42) SLC6A11SLC6A1SLC6A12MEN1TP53

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