SCHEMBL31025673

SCHEMBL31025673

N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.65
▸ MME P08473 3/20 0.60
▸ YARS1 P54577 2/20 0.60
▸ ACE P12821 2/20 0.59
▸ CPA1 P15085 1/20 0.59
▸ ACE2 Q9BYF1 1/20 0.59
▸ FOLH1 Q04609 1/20 0.57
▸ NAALAD2 Q9Y3Q0 1/20 0.57
▸ OPRD1 P41143 2/20 0.55
▸ OPRM1 P35372 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54

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
SCHEMBL1574158 1.00 SLC7A5 (0.65) SLC7A5MMEYARS1ACECPA1
SCHEMBL27653020 1.00 SLC7A5 (0.65) SLC7A5MMEYARS1ACECPA1
SCHEMBL1574161 1.00 SLC7A5 (0.65) SLC7A5MMEYARS1ACECPA1
SCHEMBL30439955 1.00 SLC7A5 (0.65) SLC7A5MMEYARS1ACECPA1
SCHEMBL10789173 0.97 SLC7A5 (0.61) SLC7A5MMEYARS1ACECPA1
SCHEMBL678158 0.97 SLC7A5 (0.61) SLC7A5MMEYARS1ACECPA1
SCHEMBL678159 0.97 SLC7A5 (0.61) SLC7A5MMEYARS1ACECPA1
SCHEMBL29657676 0.97 SLC7A5 (0.61) SLC7A5MMEYARS1ACECPA1
SCHEMBL30839475 0.97 SLC7A5 (0.61) SLC7A5MMEYARS1ACECPA1
SCHEMBL9419220 0.97 SLC7A5 (0.61) SLC7A5MMEYARS1ACECPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024163598-A2 PEPTIDES COMPRISING THIOESTER GROUPS, INCLUDING DEPSIPEPTIDE THIOESTERS, METHODS OF MAKING, AND USE THEREOF BRANDEIS UNIVERSITY (US) 2024-08-08 — — WO claimed
WO-2024163598-A2 PEPTIDES COMPRISING THIOESTER GROUPS, INCLUDING DEPSIPEPTIDE THIOESTERS, METHODS OF MAKING, AND USE THEREOF BRANDEIS UNIVERSITY (US) 2024-08-08 — — WO disclosed
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