SCHEMBL11471848

SCHEMBL11471848

CC(C)(C)OC(=O)C(CCC(N)C(=O)O)Cc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.54
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ KIF11 P52732 1/20 0.42
▸ ANPEP P15144 2/20 0.40
▸ ERAP2 Q6P179 2/20 0.40
▸ ERAP1 Q9NZ08 2/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ LAP3 P28838 1/20 0.40
▸ ENPEP Q07075 1/20 0.40
▸ TAAR1 Q96RJ0 3/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PTGS1 P23219 1/20 0.39

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
SCHEMBL27282304 0.90 SLC1A3 (0.52) SLC7A5KIF11ANPEPSLC1A3SLC1A2
SCHEMBL13726226 0.83 SLC7A5 (0.46) SLC7A5CTSSCTSKSLC1A3SLC1A2
SCHEMBL12656116 0.83 SLC7A5 (0.46) SLC7A5CTSSCTSKSLC1A3SLC1A2
SCHEMBL13726229 0.83 SLC7A5 (0.46) SLC7A5CTSSCTSKSLC1A3SLC1A2
SCHEMBL13726099 0.82 SLC7A5 (0.69) SLC7A5KIF11ANPEPERAP2ERAP1
SCHEMBL28811235 0.82 SLC7A5 (0.69) SLC7A5KIF11ANPEPERAP2ERAP1
SCHEMBL16343549 0.82 SLC7A5 (0.69) SLC7A5KIF11ANPEPERAP2ERAP1
SCHEMBL13726076 0.82 SLC7A5 (0.69) SLC7A5KIF11ANPEPERAP2ERAP1
SCHEMBL630703 0.81 SLC7A5 (0.57) SLC7A5CTSSCTSKERAP2TAAR1
SCHEMBL7464405 0.81 SLC7A5 (0.57) SLC7A5CTSSCTSKERAP2TAAR1

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
US-4242256-A Synthesis of peptide analogues SHARPE ROBERT (GB) 1980-12-30 — — US disclosed
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