SCHEMBL17206100

SCHEMBL17206100

CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)C(C)CC.CCCCCCCCCCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 2/20 0.47
▸ ITGB3 P05106 4/20 0.46
▸ ITGA2B P08514 4/20 0.46
▸ FAAH O00519 4/20 0.43
▸ NOD1 Q9Y239 3/20 0.43
▸ PTPN1 P18031 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ASAH1 Q13510 1/20 0.37
▸ ACER2 Q5QJU3 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
SCHEMBL17206101 1.00 SLC6A5 (0.47) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL29640332 0.93 SLC6A5 (0.44) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL29640354 0.93 SLC6A5 (0.44) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL30496934 0.93 SLC6A5 (0.44) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL30496953 0.93 SLC6A5 (0.44) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL27199095 0.93 PSMB5 (0.42) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL29809737 0.93 PSMB5 (0.42) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL15649757 0.91 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL4348856 0.91 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1
SCHEMBL19138237 0.91 SLC6A5 (0.54) SLC6A5ITGB3ITGA2BFAAHNOD1

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
WO-2015162195-A1 FATTY ACID ACYLATED AMINO ACIDS FOR ORAL PEPTIDE DELIVERY NOVO NORDISK A/S (DK) 2015-10-29 — — WO disclosed
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