SCHEMBL8639355

SCHEMBL8639355

CCCCCCCC(CCCC)OC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.55
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
FOLH1 Q04609 1/20 0.47
NOD1 Q9Y239 5/20 0.46
CTSK P43235 4/20 0.45
TLR2 O60603 6/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL17509712 1.00 SLC6A5 (0.55) SLC6A5SIRT6SIRT1FOLH1NOD1
SCHEMBL12349358 0.83 FOLH1 (0.55) FOLH1NOD1CTSK
SCHEMBL22539941 0.83 FOLH1 (0.55) FOLH1NOD1CTSK
SCHEMBL30915502 0.82 SLC6A5 (0.56) SLC6A5SIRT6SIRT1FOLH1NOD1
SCHEMBL7797291 0.82 SLC6A5 (0.56) SLC6A5SIRT6SIRT1FOLH1NOD1
SCHEMBL7804955 0.82 SLC6A5 (0.56) SLC6A5SIRT6SIRT1FOLH1NOD1
SCHEMBL7804980 0.82 SLC6A5 (0.56) SLC6A5SIRT6SIRT1FOLH1NOD1
SCHEMBL7803299 0.82 SLC6A5 (0.56) SLC6A5SIRT6SIRT1FOLH1NOD1
SCHEMBL7803926 0.82 SLC6A5 (0.53) SLC6A5SIRT6SIRT1FOLH1NOD1
SCHEMBL18280230 0.80 FOLH1 (0.51) SLC6A5FOLH1CA1CA2

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-0652209-B1 Derivatives of N-epsilon alkoxy-or alkenoxy-carbonyl lysine, their preparation and use in cosmetic, pharmaceutical, hygiene or alimentary compositions OREAL (FR) 1998-04-08 EP disclosed