SCHEMBL9908643

SCHEMBL9908643

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
SLC6A11 P48066 4/20 0.39
SLC6A1 P30531 2/20 0.39
NAMPT P43490 2/20 0.38
DPP4 P27487 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL10177655 1.00 MMP2 (0.40) MMP2MMP3MMP7MMP9MMP13
SCHEMBL14978137 1.00 MMP2 (0.40) MMP2MMP3MMP7MMP9MMP13
SCHEMBL16393116 0.91 HDAC1 (0.38) HDAC6SLC6A11SLC6A1NAMPTDPP4
SCHEMBL31534289 0.91 HDAC1 (0.38) HDAC6SLC6A11SLC6A1NAMPTDPP4
SCHEMBL10177664 0.91 HDAC6 (0.40) HDAC6SLC6A11SLC6A1NAMPTDPP4
SCHEMBL14977891 0.90 SLC6A11 (0.42) SLC6A11SLC6A1MEN1TP53CYP1A2
SCHEMBL10177713 0.90 HDAC6 (0.39) HDAC6SLC6A11SLC6A1NAMPTDPP4
SCHEMBL30209495 0.90 HDAC6 (0.41) HDAC6SLC6A11SLC6A1NAMPTSMN1; SMN2
SCHEMBL24383289 0.90 SLC6A11 (0.41) SLC6A11SLC6A1MEN1TP53CYP1A2
SCHEMBL9604443 0.90 SLC6A11 (0.41) SLC6A11SLC6A1MEN1TP53CYP1A2

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