SCHEMBL9908645

SCHEMBL9908645

CCCCCC(=O)N1C[C@H](O)CC1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.42
SLC6A1 P30531 3/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 2/20 0.38
SLC6A12 P48065 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
MTNR1B P49286 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TYMP P19971 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
SCHEMBL26302681 0.99 SLC6A11 (0.42) SLC6A11SLC6A1MEN1KMT2AMAPT
SCHEMBL9908638 0.99 SLC6A11 (0.42) SLC6A11SLC6A1MEN1KMT2AMAPT
SCHEMBL14978147 0.99 SLC6A11 (0.42) SLC6A11SLC6A1MEN1KMT2AMAPT
SCHEMBL26302685 0.99 SLC6A11 (0.42) SLC6A11SLC6A1MEN1KMT2AMAPT
SCHEMBL26302691 0.99 SLC6A11 (0.42) SLC6A11SLC6A1MEN1KMT2AMAPT
SCHEMBL26302692 0.94 CNR1 (0.42) SLC6A11SLC6A1MEN1KMT2AMAPT
SCHEMBL24383294 0.93 SLC6A11 (0.42) SLC6A11SLC6A1MEN1KMT2ATP53
SCHEMBL9604514 0.93 SLC6A11 (0.42) SLC6A11SLC6A1MEN1KMT2ATP53
SCHEMBL16843276 0.93 SLC6A11 (0.42) SLC6A11SLC6A1MEN1KMT2ATP53
SCHEMBL17231722 0.93 SLC6A11 (0.42) SLC6A11SLC6A1MEN1KMT2ATP53

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