SCHEMBL21283383

SCHEMBL21283383

CC(C)C[C@H](N)C(=O)OCC[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.47
▸ ANPEP P15144 6/20 0.40
▸ RNPEP Q9H4A4 2/20 0.40
▸ DNPEP Q9ULA0 2/20 0.40
▸ SLC1A3 P43003 2/20 0.37
▸ SLC1A2 P43004 2/20 0.37
▸ SLC1A1 P43005 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ LAP3 P28838 5/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32

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
SCHEMBL12214542 0.88 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL13144609 0.86 SLC7A5 (0.56) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL23408836 0.85 CYP19A1 (0.39) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL14095412 0.82 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL7647620 0.82 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL21264570 0.81 SLC7A5 (0.44) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL22392039 0.81 SLC7A5 (0.44) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL28435189 0.81 SLC7A5 (0.44) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL23422900 0.80 SLC7A5 (0.42) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL18274685 0.80 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPSLC1A3

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-2019161047-A1 ORAL SUPPLEMENTS OF FATTY ACID AND AMINO ACID KETONE ESTERS TO IMPROVE METABOLIC, PHYSICAL AND COGNITIVE HEALTH BICKMAN BENJAMIN (US) 2019-08-22 — — WO disclosed
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