SCHEMBL6974551

SCHEMBL6974551

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 1/20 0.38
TP53 P04637 1/20 0.36
DPP4 P27487 2/20 0.32
GRIK1 P39086 1/20 0.32
ENPEP Q07075 2/20 0.32
GABRP O00591 4/20 0.32
GABRD O14764 4/20 0.32
GABRA1 P14867 4/20 0.32
GABRB1 P18505 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32
GABRA2 P47869 4/20 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
SCHEMBL318356 1.00 SLC7A5 (0.48) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL8966152 1.00 SLC7A5 (0.48) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL5514917 0.80 TP53 (0.42) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL13542998 0.80 TP53 (0.42) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL1604917 0.80 ALDH1A1 (0.39) SLC7A5ALDH1A1MAPTPTGS1TP53
SCHEMBL3891579 0.79 SLC7A5 (0.55) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL4441664 0.79 SLC7A5 (0.55) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Methane SCHEMBL2033946 0.77 SLC7A5 (0.52) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL11536438 0.77 SLC7A5 (0.40) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL12563243 0.77 SLC7A5 (0.40) SLC7A5ALDH1A1MAPTPTGS1SLC1A3

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-0869786-B1 PHARMACEUTICAL COMPOUNDS LILLY CO ELI (US) 2003-03-05 EP disclosed