SCHEMBL9908644

SCHEMBL9908644

COc1ccc(C(OCC2C[C@@H](O)CN2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.41
SLC6A1 P30531 2/20 0.41
TYMP P19971 1/20 0.40
KIF11 P52732 7/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A12 P48065 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
ALK Q9UM73 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
SCHEMBL3687661 1.00 SLC6A11 (0.41) SLC6A11SLC6A1TYMPKIF11KCNH2
SCHEMBL4013896 1.00 SLC6A11 (0.41) SLC6A11SLC6A1TYMPKIF11KCNH2
SCHEMBL26315910 1.00 SLC6A11 (0.41) SLC6A11SLC6A1TYMPKIF11KCNH2
SCHEMBL31589135 1.00 SLC6A11 (0.41) SLC6A11SLC6A1TYMPKIF11KCNH2
SCHEMBL19463682 0.89 SLC6A11 (0.43) SLC6A11SLC6A1TYMPKIF11KCNH2
SCHEMBL20414094 0.88 SLC6A11 (0.43) SLC6A11SLC6A1TYMPKIF11KCNH2
SCHEMBL6855480 0.83 CHRNB4 (0.34) SLC6A1ALK
Hydroxyamine SCHEMBL8631065 0.81 SLC6A2 (0.33) ALK
SCHEMBL6855484 0.81 SLC6A2 (0.32) ALK
Hydroxyamine SCHEMBL8631067 0.79 SLC6A2 (0.31)

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 5 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-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