SCHEMBL4425082

SCHEMBL4425082

CCC(CCCCCCCCCCCCCCCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)OC(=O)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.42
SLC6A1 P30531 2/20 0.42
KIF11 P52732 3/20 0.41
CYP2D6 P10635 3/20 0.40
HTR2A P28223 3/20 0.40
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A12 P48065 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
PDE4B Q07343 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL3689634 0.89 SLC6A11 (0.41) SLC6A11SLC6A1KIF11CYP2D6HTR2A
SCHEMBL3694009 0.85 SLC6A11 (0.39) SLC6A11SLC6A1KIF11CYP2D6HTR2A
SCHEMBL18349844 0.85 CYP2D6 (0.42) SLC6A11SLC6A1KIF11CYP2D6HTR2A
SCHEMBL22380805 0.82 SLC6A11 (0.44) SLC6A11SLC6A1KIF11CYP2D6HTR2A
SCHEMBL13575130 0.82 PLA2G2A (0.44) SLC6A11SLC6A1CYP2D6HTR2A
SCHEMBL12004675 0.81 PDE4B (0.51) SLC6A11SLC6A1KIF11MEN1TP53
SCHEMBL12005099 0.81 PDE4B (0.51) SLC6A11SLC6A1KIF11MEN1TP53
SCHEMBL12004703 0.81 PDE4B (0.51) SLC6A11SLC6A1KIF11MEN1TP53
SCHEMBL3690892 0.81 HDAC6 (0.38) SLC6A11SLC6A1CYP2D6HTR2A
SCHEMBL31677916 0.81 L3MBTL1 (0.36) SLC6A11SLC6A1KIF11MEN1KMT2A

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
EP-2081949-A2 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE Dharmacon, Inc. (US) 2009-07-29 EP disclosed
EP-2064223-A2 DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE Dharmacon, Inc. (US) 2009-06-03 EP disclosed
WO-2008036825-A2 DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE DHARMACON, INC. (US) 2008-03-27 WO disclosed
WO-2008036841-A2 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE DHARMACON, INC. (US) 2008-03-27 WO disclosed