SCHEMBL12824151

SCHEMBL12824151

COc1ccc(C(OCCCCCC(OC(C)=O)C(C)CCCO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.41
SLC6A1 P30531 3/20 0.41
KIF11 P52732 5/20 0.38
SLC6A12 P48065 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A13 Q9NSD5 1/20 0.37
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL887529 0.94 SLC6A11 (0.44) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL14355199 0.85 SLC6A11 (0.43) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL13867925 0.81 SLC6A11 (0.41) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL2631346 0.81 SLC6A11 (0.43) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL14099533 0.81 SLC6A11 (0.40) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL12824150 0.80 SLC6A11 (0.34) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL6849984 0.79 SLC6A11 (0.46) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL887485 0.79 SLC6A11 (0.46) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL27051202 0.79 SLC6A11 (0.46) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL1260569 0.79 SLC6A11 (0.46) SLC6A11SLC6A1KIF11SLC6A12MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298930-A1 Preparation of templates for nucleic acid sequencing Illumina Cambridge Limited (GB) 2011-03-23 EP disclosed