SCHEMBL14355199

SCHEMBL14355199

COc1ccc(C(OCCCCCCC(OC(C)=O)C(CCCCCCCC(C)=O)OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.43
SLC6A1 P30531 3/20 0.43
KIF11 P52732 4/20 0.40
SLC6A12 P48065 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
HDAC1 Q13547 1/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL887529 0.91 SLC6A11 (0.44) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL14099533 0.89 SLC6A11 (0.40) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL12824151 0.85 SLC6A11 (0.41) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL12004703 0.81 PDE4B (0.51) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL12005099 0.81 PDE4B (0.51) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL12004675 0.81 PDE4B (0.51) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL28577719 0.79 PDE4B (0.52) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL887488 0.78 SLC6A11 (0.35) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL6834879 0.76 PDE4B (0.54) SLC6A11SLC6A1KIF11SLC6A12MEN1
SCHEMBL4425082 0.76 SLC6A11 (0.42) 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
US-7297780-B2 Reactive functional groups for preparation of modified nucleic acid THIRD WAVE TECHNOLOGIES, INC. 2007-11-20 US disclosed