SCHEMBL14895484

SCHEMBL14895484

CC(C)CNCC(=O)O.CCC(C)NCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
HTT P42858 2/20 0.32
CYP2C9 P11712 1/20 0.32
ANPEP P15144 1/20 0.32

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
SCHEMBL13774332 0.86
SCHEMBL1581176 0.86
SCHEMBL164712 0.86
SCHEMBL16267280 0.84 MME (0.42) CYP2D6CYP2C19MMEACECPA1
SCHEMBL164110 0.84
Acetic Acid SCHEMBL2164074 0.82 MME (0.41) CYP2D6CYP2C19MMEACECPA1
SCHEMBL7569975 0.82 ALDH1A1 (0.39) CYP2D6CYP2C19MMEACECPA1
SCHEMBL31198187 0.82 CYP2D6 (0.48) CYP2D6CYP2C19MMEACECPA1
Hydrochloric Acid SCHEMBL5886752 0.82 CYP2D6 (0.48) CYP2D6CYP2C19MMEACECPA1
3-Methylbutanoic Acid SCHEMBL2165073 0.81 MME (0.38) CYP2D6CYP2C19MMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771351-B1 PAT-LM1 EPITOPES AND METHODS FOR USING SAME PATRYS LTD (AU) 2017-06-14 EP disclosed
US-9265817-B2 PAT-LM1 epitopes and methods for using same PATRYS LIMITED (AU) 2016-02-23 US disclosed
US-20140302074-A1 Pat-LM1 Epitopes and Methods for Using Same PATRYS LIMITED (AU) 2014-10-09 US disclosed
EP-2771351-A1 PAT-LM1 EPITOPES AND METHODS FOR USING SAME Patrys Limited (AU) 2014-09-03 EP disclosed
WO-2013059886-A1 PAT-LM1 EPITOPES AND METHODS FOR USING SAME PATRYS LIMITED (AU) 2013-05-02 WO disclosed