SCHEMBL21986241

SCHEMBL21986241

CCCCCCCCCCCC(=O)NCCCCC(NC(=O)CCC(=O)NC(CCCCNC(=O)CCCCCCCCCCC)C(=O)O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 7/20 0.74
▸ GLP1R P43220 8/20 0.64
▸ EPHX2 P34913 3/20 0.64
▸ SLC6A5 Q9Y345 1/20 0.61
▸ CASP2 P42575 1/20 0.54

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
SCHEMBL21986240 1.00 NOD1 (0.74) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL7041680 0.99 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL13855525 0.99 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL25542907 0.99 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL14937344 0.99 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL542980 0.99 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL13855526 0.99 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL14937066 0.99 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL14937349 0.99 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2
SCHEMBL25542989 0.99 NOD1 (0.76) NOD1GLP1REPHX2SLC6A5CASP2

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
EP-3176150-B1 MEDIUM-CHAIN ACYL BASIC AMINO ACID DERIVATIVE AJINOMOTO KK (JP) 2020-06-03 — — EP disclosed
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