SCHEMBL5879115

SCHEMBL5879115

CCCCCCCCCCCCCCCC(=O)N[C@H](C=O)CCCCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.59
DNM1 Q05193 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FAAH O00519 2/20 0.50
MAPK1 P28482 1/20 0.50
DEGS1 O15121 1/20 0.46
ASAH1 Q13510 1/20 0.46
NOD1 Q9Y239 3/20 0.46
PLA2G2C Q5R387 1/20 0.46
CTSK P43235 3/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
TLR2 O60603 1/20 0.43
PLA2G10 O15496 1/20 0.43

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
SCHEMBL12446457 1.00 SLC6A5 (0.59) SLC6A5DNM1MEN1KMT2AFAAH
SCHEMBL20414960 0.93 SLC6A5 (0.70) SLC6A5MEN1KMT2AFAAHDEGS1
SCHEMBL19557856 0.92 SLC6A5 (0.48) SLC6A5DNM1MEN1KMT2AFAAH
SCHEMBL27798454 0.87 LMNA (0.52) SLC6A5MEN1KMT2APLA2G2CPLA2G10
SCHEMBL3791704 0.87 LMNA (0.52) SLC6A5MEN1KMT2APLA2G2CPLA2G10
SCHEMBL23505651 0.86 FAAH (0.58) DNM1MEN1KMT2AFAAHMAPK1
SCHEMBL27676612 0.86 FAAH (0.58) DNM1MEN1KMT2AFAAHMAPK1
SCHEMBL27656564 0.86 FAAH (0.58) DNM1MEN1KMT2AFAAHMAPK1
SCHEMBL27676604 0.86 FAAH (0.58) DNM1MEN1KMT2AFAAHMAPK1
SCHEMBL23505641 0.86 FAAH (0.58) DNM1MEN1KMT2AFAAHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060222650-A1 Broad spectrum pyrogenic antagonists and vaccines directed against pyrogenic exotoxins YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-10-05 US disclosed
US-7060277-B2 Broad spectrum antagonists and vaccines directed against pyrogenic exotoxins YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-06-13 US disclosed