SCHEMBL28960755

SCHEMBL28960755

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.61
▸ FAAH O00519 4/20 0.54
▸ TLR2 O60603 1/20 0.53
▸ CASP2 P42575 1/20 0.51
▸ DNM1 Q05193 1/20 0.51
▸ GLP1R P43220 8/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL28960756 1.00 NOD1 (0.61) NOD1FAAHTLR2CASP2DNM1
SCHEMBL15084766 0.93 NOD1 (0.63) NOD1FAAHTLR2CASP2GLP1R
SCHEMBL13213995 0.88 NOD1 (0.60) NOD1FAAHCASP2DNM1GLP1R
SCHEMBL22386556 0.88 NAAA (0.61) NOD1FAAHTLR2CASP2DNM1
SCHEMBL10246707 0.87 NOD1 (0.54) NOD1FAAHTLR2CASP2DNM1
SCHEMBL13336948 0.87 GLP1R (0.64) NOD1FAAHCASP2GLP1R
SCHEMBL22479777 0.87 NOD1 (0.80) NOD1GLP1R
SCHEMBL14728360 0.87 NOD1 (0.80) NOD1GLP1R
SCHEMBL12296667 0.87 NOD1 (0.80) NOD1GLP1R
SCHEMBL4828756 0.87 GLP1R (0.64) NOD1FAAHCASP2GLP1R

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
CN-115728272-A Molecular chiral detection and identification method based on composite plasmon chiral nanostructure 北京理工大学 2023-03-03 — — CN disclosed
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