SCHEMBL20162097

SCHEMBL20162097

CCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCCCC(=O)O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.71
GLP1R P43220 8/20 0.65
EPHX2 P34913 6/20 0.61
SLC6A5 Q9Y345 1/20 0.58

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
SCHEMBL16259359 1.00 NOD1 (0.71) NOD1GLP1REPHX2SLC6A5
SCHEMBL16259357 1.00 NOD1 (0.71) NOD1GLP1REPHX2SLC6A5
SCHEMBL16259353 1.00 NOD1 (0.71) NOD1GLP1REPHX2SLC6A5
SCHEMBL16259355 1.00 NOD1 (0.71) NOD1GLP1REPHX2SLC6A5
SCHEMBL13855525 0.96 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5
SCHEMBL14937349 0.96 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5
SCHEMBL14937344 0.96 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5
SCHEMBL7041680 0.96 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5
SCHEMBL14937066 0.96 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5
SCHEMBL542980 0.96 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5

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
EP-3323868-B1 GEL COMPOSITION CONTAINING ACYL BASIC AMINO ACID DERIVATIVE AJINOMOTO KK (JP) 2020-05-13 EP disclosed
EP-3323868-A1 GEL COMPOSITION CONTAINING ACYL BASIC AMINO ACID DERIVATIVE AJINOMOTO CO., INC. (JP) 2018-05-23 EP disclosed