SCHEMBL29991514

SCHEMBL29991514

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.53
▸ BACE2 Q9Y5Z0 4/20 0.53
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ GNPAT O15228 1/20 0.52
▸ REN P00797 1/20 0.52
▸ MME P08473 1/20 0.51
▸ CPA1 P15085 1/20 0.51
▸ CPB1 P15086 1/20 0.51
▸ CPA2 P48052 1/20 0.51
▸ CPA4 Q9UI42 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51
▸ EDNRA P25101 1/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ CTSD P07339 1/20 0.49

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
SCHEMBL31609331 0.92 MME (0.56) OPRM1OPRD1GNPATRENMME
SCHEMBL31119957 0.90 BACE1 (0.49) BACE1BACE2OPRM1OPRD1REN
SCHEMBL23081569 0.90 BACE1 (0.49) BACE1BACE2OPRM1OPRD1REN
SCHEMBL29886195 0.87 BACE1 (0.55) BACE1BACE2OPRM1OPRD1REN
SCHEMBL17732678 0.85 GNPAT (0.67) GNPATMMECPA1ACE2
SCHEMBL30799905 0.85 GNPAT (0.67) GNPATMMECPA1ACE2
SCHEMBL30533197 0.85 GNPAT (0.67) GNPATMMECPA1ACE2
SCHEMBL30190513 0.85 KEAP1 (0.67) BACE1BACE2OPRM1OPRD1KEAP1
SCHEMBL7421185 0.85 CPA1 (0.59) BACE1BACE2GNPATMMECPA1
SCHEMBL31326264 0.84 MME (0.69) GNPATMMECPA1CPB1CPA2

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-2022241417-A1 METHODS AND COMPOSITIONS FOR EXTENDING ORGAN AND TISSUE PRESERVATION THE GENERAL HOSPITAL CORPORATION (US) 2022-11-17 — — WO disclosed
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