SCHEMBL21283433

SCHEMBL21283433

CC(C)CCC(=O)O[C@H](C)CCOC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.38
▸ ANPEP P15144 2/20 0.36
▸ RNPEP Q9H4A4 2/20 0.36
▸ DNPEP Q9ULA0 1/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ SLC1A3 P43003 2/20 0.36
▸ SLC1A2 P43004 2/20 0.36
▸ CA1 P00915 2/20 0.32
▸ CYP19A1 P11511 2/20 0.31
▸ FAAH O00519 4/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ TLR2 O60603 1/20 0.30

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
SCHEMBL21283434 0.86 LMNA (0.46) FAAHCNR1CNR2TLR2
SCHEMBL21264570 0.85 SLC7A5 (0.44) SLC7A5ANPEPRNPEPDNPEPSLC1A1
SCHEMBL12214542 0.82 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPSLC1A1
SCHEMBL21264616 0.78 FOLH1 (0.33) CYP19A1FAAH
SCHEMBL23408812 0.76 SLC7A5 (0.41) SLC7A5ANPEPRNPEPDNPEPSLC1A1
SCHEMBL13144609 0.76 SLC7A5 (0.56) SLC7A5ANPEPRNPEPDNPEPSLC1A1
SCHEMBL21283383 0.75 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPSLC1A1
SCHEMBL10569273 0.74 CYP19A1 (0.41) SLC1A1SLC1A3SLC1A2CA1CYP19A1
SCHEMBL10569270 0.74 CYP19A1 (0.41) SLC1A1SLC1A3SLC1A2CA1CYP19A1
SCHEMBL14308491 0.73 CYP19A1 (0.33) CA1CYP19A1

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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