SCHEMBL4421178

SCHEMBL4421178

COc1ccc(C(OCCC(O)CCCCCNC(=O)CCCCCNC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC7 Q8WUI4 1/20 0.41
SLC6A1 P30531 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A11 P48066 1/20 0.40
BCHE P06276 1/20 0.40
CHRM2 P08172 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL14315813 0.94 ALDH1A1 (0.50) HDAC6SMN1; SMN2ALDH1A1
SCHEMBL3689532 0.87 MTNR1B (0.43) HDAC6SMN1; SMN2HDAC1HDAC7SLC6A1
SCHEMBL524569 0.86 SLC6A11 (0.47) SMN1; SMN2ALDH1A1SLC6A1MEN1KMT2A
SCHEMBL3691998 0.82 TGM2 (0.45) SMN1; SMN2
SCHEMBL3689628 0.82 TGM2 (0.45) SMN1; SMN2
SCHEMBL13551205 0.81 ALDH1A1 (0.54) HDAC6ALDH1A1MEN1HPGDKMT2A
SCHEMBL3698291 0.79 SLC6A11 (0.43) SLC6A1MEN1KMT2ASLC6A11
SCHEMBL3695475 0.79 SLC6A11 (0.43) SLC6A1MEN1KMT2ASLC6A11
SCHEMBL16557240 0.79 HDAC6 (0.48) HDAC6SMN1; SMN2HDAC1HDAC3ALDH1A1
SCHEMBL16218326 0.79 HDAC6 (0.48) HDAC6SMN1; SMN2HDAC1HDAC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081949-B1 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE GE HEALTHCARE DHARMACON INC (US) 2014-12-10 EP disclosed
EP-2064223-B1 Duplex oligonucleotide complexes and methods for gene silencing by RNA interference DHARMACON INC (US) 2013-04-24 EP disclosed
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