SCHEMBL28263952

SCHEMBL28263952

CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 10/20 0.51
▸ LPAR3 Q9UBY5 4/20 0.46
▸ LPAR1 Q92633 2/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ NPY5R Q15761 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL1541966 1.00 NOD1 (0.51) NOD1LPAR3LPAR1NPY1RNPY2R
SCHEMBL18796580 1.00 NOD1 (0.51) NOD1LPAR3LPAR1NPY1RNPY2R
SCHEMBL28263953 1.00 NOD1 (0.51) NOD1LPAR3LPAR1NPY1RNPY2R
SCHEMBL27805202 1.00 NOD1 (0.51) NOD1LPAR3LPAR1NPY1RNPY2R
SCHEMBL18991155 1.00 NOD1 (0.51) NOD1LPAR3LPAR1NPY1RNPY2R
Hydrochloric Acid SCHEMBL11032095 0.99 NOD1 (0.50) NOD1LPAR3LPAR1NPY1RNPY2R
Hydrochloric Acid SCHEMBL2456333 0.99 NOD1 (0.50) NOD1LPAR3LPAR1NPY1RNPY2R
Hydrochloric Acid SCHEMBL11032092 0.99 NOD1 (0.50) NOD1LPAR3LPAR1NPY1RNPY2R
Hydrochloric Acid SCHEMBL28205976 0.99 NOD1 (0.50) NOD1LPAR3LPAR1NPY1RNPY2R
Hydrochloric Acid SCHEMBL8830966 0.97 NOD1 (0.48) NOD1LPAR3LPAR1NPY1RNPY2R

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-108929247-A A kind of NαAlkyl acyl arginine ester antibacterial agent and its preparation and application 中南大学 2018-12-04 — — CN disclosed
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