SCHEMBL25626304

SCHEMBL25626304

CC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.60
▸ MME P08473 5/20 0.59
▸ GNPAT O15228 1/20 0.59
▸ CPA1 P15085 2/20 0.55
▸ CPA2 P48052 1/20 0.55
▸ CPA4 Q9UI42 1/20 0.55
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ NAALAD2 Q9Y3Q0 1/20 0.53
▸ ACE2 Q9BYF1 1/20 0.52

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
SCHEMBL15692299 0.94 MME (0.66) ACEMMEGNPATCPA1CPA2
SCHEMBL15692300 0.94 MME (0.66) ACEMMEGNPATCPA1CPA2
SCHEMBL5997104 0.94 MME (0.66) ACEMMEGNPATCPA1CPA2
SCHEMBL7437335 0.92 GNPAT (0.63) ACEMMEGNPATCPA1CTSS
SCHEMBL25627344 0.91 BACE1 (0.55) ACEGNPAT
SCHEMBL30799905 0.90 GNPAT (0.67) ACEMMEGNPATCPA1CTSS
SCHEMBL17732678 0.90 GNPAT (0.67) ACEMMEGNPATCPA1CTSS
SCHEMBL30533197 0.90 GNPAT (0.67) ACEMMEGNPATCPA1CTSS
SCHEMBL8903262 0.90 ACE (0.61) ACEMMEGNPATCPA1CPA2
SCHEMBL25627310 0.89 MME (0.60) ACEMMECPA1ACE2

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-2023106897-A1 NOVEL PEPTIDE DERIVATIVE DERIVED FROM ADIPONECTIN AND USE THEREOF 서울대학교병원 2023-06-15 — — WO disclosed
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