SCHEMBL472024

SCHEMBL472024

Nc1ccccc1C(=O)N(CC(=O)O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 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
SCHEMBL7286509 0.94 KDM4E (0.47) KDM4ESLC6A9SLC6A5ALDH1A1MEN1
SCHEMBL1286420 0.93 SLC6A9 (0.46) KDM4ESLC6A9SLC6A5ALDH1A1MEN1
SCHEMBL11083674 0.81 KMT2A (0.48) KDM4ESLC6A9SLC6A5ALDH1A1KMT2A
SCHEMBL11077996 0.78 SLC6A9 (0.45) MAPTSLC6A9SLC6A5
SCHEMBL4560310 0.72 SLC6A4 (0.62)
SCHEMBL7011050 0.72 AGER (0.58) SLC6A9SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL7287660 0.72 SLC6A9 (0.40) KDM4EMAPTSLC6A9SLC6A5ALDH1A1
SCHEMBL29111859 0.71 KDM4E (0.82) KDM4EMAPTGAAALDH1A1HSD17B10
SCHEMBL7287247 0.71 SLC6A9 (0.49) MAPTSLC6A9SLC6A5ALDH1A1MEN1
SCHEMBL15807707 0.70 SLC6A2 (0.51) KDM4EMAPTMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116538-A1 RESPIRATORY SYNCYTIAL VIRUS (RSV) REPLICATION INHIBITORS Fondation The Ark (CH) 2017-01-18 EP disclosed
WO-2017004672-A1 PEPTIDYL TPOR ANTAGONISTS AND USES THEREOF POLYMERS CRC LIMITED (AU) 2017-01-12 WO disclosed
WO-2015135925-A1 RESPIRATORY SYNCYTIAL VIRUS (RSV) REPLICATION INHIBITORS FONDATION THE ARK (CH) 2015-09-17 WO disclosed
EP-2412719-A1 Chi-conotoxin peptides Xenome Ltd (AU) 2012-02-01 EP disclosed
EP-2386566-A2 Chi-conotoxin peptides (II) Xenome Ltd (AU) 2011-11-16 EP disclosed
US-20110195909-A1 NOVEL X-CONOTOXIN PEPTIDES (-II) XENOME LTD. (AU) 2011-08-11 US disclosed
EP-2015766-A1 CYCLISED ALPHA-CONOTOXIN PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2009-01-21 EP disclosed
EP-1578787-A4 NOVEL CHI-CONOTOXIN PEPTIDES (-II) XENOME LTD (AU) 2008-09-24 EP disclosed
WO-2007118270-A1 CYCLISED ALPHA-CONOTOXIN PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2007-10-25 WO disclosed
EP-1578787-A1 NOVEL CHI-CONOTOXIN PEPTIDES (-II) Xenome Ltd (AU) 2005-09-28 EP disclosed
WO-2004099238-A1 NOVEL mu-CONOTOXIN PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2004-11-18 WO disclosed
WO-2004050688-A1 NOVEL χ-CONOTOXIN PEPTIDES (-II) XENOME LTD (AU) 2004-06-17 WO disclosed