SCHEMBL7721071

SCHEMBL7721071

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 10/20 0.55
FOLH1 Q04609 4/20 0.40
RIMKLA Q8IXN7 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
PLA2G2C Q5R387 1/20 0.39
BMP1 P13497 1/20 0.38
CCKBR P32239 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 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
SCHEMBL1413101 0.94 NOD1 (0.57) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL31175043 0.87 NOD1 (0.56) NOD1FOLH1PLA2G2CSLC6A5CA12
SCHEMBL29245602 0.80 NOD1 (0.57) NOD1
SCHEMBL27812063 0.80 NOD1 (0.57) NOD1
SCHEMBL6890621 0.80 NOD1 (0.57) NOD1
SCHEMBL30985279 0.80 NOD1 (0.57) NOD1
SCHEMBL30255144 0.79 NOD1 (0.56) NOD1
SCHEMBL14906324 0.79 NOD1 (0.54) NOD1FOLH1SLC6A5
SCHEMBL17983518 0.79 NOD1 (0.54) NOD1FOLH1RIMKLANAALAD2BMP1
SCHEMBL4190542 0.78 NOD1 (0.52) NOD1FOLH1SLC6A5

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-6339173-B1 FOR INTERFERING WITH PROTEIN EXPRESSION IN A CELL; USEFUL IN LIPID AGGREGATES FOR THE DELIVERY OF MACROMOLECULES INTO CELLS PROMEGA BIOSCIENCES, INC. 2002-01-15 US disclosed