SCHEMBL30008729

SCHEMBL30008729

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.59
REN P00797 3/20 0.45
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
OPRD1 P41143 1/20 0.43
CASP3 P42574 2/20 0.43
CASP7 P55210 1/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CASP9 P55211 1/20 0.41
CTSD P07339 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIA1 P42261 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
SCHEMBL7277740 0.87 CASP1 (0.75) CASP1RENBACE1BACE2OPRD1
SCHEMBL4349143 0.87 CASP1 (0.75) CASP1RENBACE1BACE2OPRD1
SCHEMBL5689425 0.84 CASP1 (0.49) CASP1RENBACE1BACE2OPRD1
SCHEMBL7197343 0.82 CASP1 (0.65) CASP1BACE1BACE2OPRD1CASP3
SCHEMBL15462621 0.82 CASP3 (0.61) CASP1RENCASP3CASP7CTSS
SCHEMBL20052370 0.82 CASP3 (0.61) CASP1RENCASP3CASP7CTSS
SCHEMBL7275856 0.81 CASP1 (0.49) CASP1RENBACE1BACE2OPRD1
SCHEMBL7284988 0.80 CASP1 (0.49) CASP1RENBACE1BACE2OPRD1
SCHEMBL7287204 0.80 CASP1 (0.49) CASP1RENBACE1BACE2OPRD1
SCHEMBL7275894 0.80 BACE1 (0.50) CASP1RENBACE1BACE2OPRD1

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-11525155-B2 Stabilisation of biological samples QIAGEN GMBH (DE) 2022-12-13 US disclosed