SCHEMBL468782

SCHEMBL468782

CCCCCOC(=O)C(CCC(N)=O)NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 6/20 0.50
PLA2G2C Q5R387 6/20 0.44
TLR2 O60603 2/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PLA2G2A P14555 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL468783 1.00 NOD1 (0.50) NOD1PLA2G2CTLR2SIRT6SIRT1
SCHEMBL7043917 0.99 NOD1 (0.52) NOD1PLA2G2CTLR2SIRT6SIRT1
SCHEMBL468769 0.99 NOD1 (0.52) NOD1PLA2G2CTLR2SIRT6SIRT1
SCHEMBL7043919 0.99 NOD1 (0.52) NOD1PLA2G2CTLR2SIRT6SIRT1
SCHEMBL468829 0.99 NOD1 (0.52) NOD1PLA2G2CTLR2SIRT6SIRT1
SCHEMBL8773297 0.99 NOD1 (0.52) NOD1PLA2G2CTLR2SIRT6SIRT1
SCHEMBL468770 0.99 NOD1 (0.52) NOD1PLA2G2CTLR2SIRT6SIRT1
SCHEMBL468828 0.99 NOD1 (0.52) NOD1PLA2G2CTLR2SIRT6SIRT1
SCHEMBL468919 0.95 NOD1 (0.45) NOD1PLA2G2CTLR2SIRT6SIRT1
SCHEMBL468917 0.95 NOD1 (0.45) NOD1PLA2G2CTLR2SIRT6SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed