SCHEMBL8620771

SCHEMBL8620771

CCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OC)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 11/20 0.75
▸ SLC6A5 Q9Y345 2/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ PLA2G2C Q5R387 1/20 0.54
▸ FAAH O00519 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ DNM1 Q05193 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
SCHEMBL4398199 1.00 NOD1 (0.75) NOD1SLC6A5KMT2APLA2G2CFAAH
SCHEMBL5496148 1.00 NOD1 (0.75) NOD1SLC6A5KMT2APLA2G2CFAAH
SCHEMBL28321635 0.98 NOD1 (0.73) NOD1SLC6A5KMT2APLA2G2CFAAH
Selenium SCHEMBL4401992 0.98 NOD1 (0.73) NOD1SLC6A5KMT2APLA2G2CFAAH
Alanine SCHEMBL28447182 0.92 NOD1 (0.64) NOD1SLC6A5KMT2AFAAHMEN1
SCHEMBL16465238 0.92 SLC6A5 (0.70) NOD1SLC6A5FAAH
SCHEMBL16465619 0.91 NOD1 (0.63) NOD1SLC6A5KMT2APLA2G2C
SCHEMBL29010135 0.90 NOD1 (0.73) NOD1SLC6A5KMT2APLA2G2CFAAH
SCHEMBL10338746 0.89 NOD1 (0.60) NOD1SLC6A5KMT2APLA2G2CFAAH
SCHEMBL7208303 0.88 KMT2A (0.64) NOD1KMT2APLA2G2CFAAHMEN1

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-0839515-A2 Cosmetics comprising an n-acylamino acid ester KASHIMA OIL COMPANY (JP) 1998-05-06 — — EP disclosed
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