SCHEMBL21529464

SCHEMBL21529464

CC(=O)NC(CCC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.42
▸ BACE2 Q9Y5Z0 3/20 0.42
▸ CTSD P07339 2/20 0.41
▸ CASP3 P42574 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP4 P49662 1/20 0.40
▸ CASP5 P51878 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 1/20 0.40
▸ CASP10 Q92851 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ MAGI3 Q5TCQ9 1/20 0.40
▸ GNPAT O15228 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ ERBB2 P04626 1/20 0.40

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
SCHEMBL31187019 1.00 BACE1 (0.42) BACE1BACE2CTSDCASP3CASP1
SCHEMBL30640025 0.90 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL32677403 0.87 BACE1 (0.45) BACE1BACE2CTSDCASP3CASP1
Trifluoroacetic Acid SCHEMBL30641536 0.86 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL30020949 0.85 BACE1 (0.49) BACE1BACE2CTSDCASP3CASP7
SCHEMBL30272230 0.85 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL19051569 0.85 GNPAT (0.40) BACE1BACE2GNPAT
SCHEMBL11134385 0.85 GNPAT (0.47) CASP3GNPATCASP7
SCHEMBL30476106 0.84 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL30720017 0.83 BACE1 (0.46) BACE1BACE2CTSDF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240041743-A1 SYNERGISTIC TETRAPEPTIDE COMBINATION BASF BEAUTY CARE SOLUTIONS FRANCE S.A.S. (FR) 2024-02-08 — — US claimed
US-20190336429-A1 SYNERGISTIC TETRAPEPTIDE COMBINATION BASF CORPORATION 2019-11-07 — — US claimed
US-20240041743-A1 SYNERGISTIC TETRAPEPTIDE COMBINATION BASF BEAUTY CARE SOLUTIONS FRANCE S.A.S. (FR) 2024-02-08 — — US disclosed
US-20190336429-A1 SYNERGISTIC TETRAPEPTIDE COMBINATION BASF CORPORATION 2019-11-07 — — US disclosed
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