SCHEMBL29861104

SCHEMBL29861104

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](C)N(C)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.52
ECE1 P42892 1/20 0.50
CAPN1 P07384 1/20 0.48
CTSK P43235 2/20 0.47

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
SCHEMBL23893534 0.93 CAPN1 (0.48) MMEECE1CAPN1CTSK
SCHEMBL31512922 0.84 CTSK (0.56) MMECAPN1CTSK
SCHEMBL26010079 0.84 ABCB1 (0.51) CTSK
SCHEMBL30522071 0.84 BACE1 (0.44) CAPN1CTSK
SCHEMBL31388657 0.83 BACE1 (0.45) CAPN1CTSK
SCHEMBL29670351 0.82 ABCB1 (0.52) MMEECE1CAPN1CTSK
SCHEMBL5193478 0.82 CTSK (0.49) MMEECE1CTSK
SCHEMBL998948 0.81 MME (0.54) MMEECE1CAPN1CTSK
SCHEMBL29861007 0.79 BACE1 (0.46) CAPN1CTSK
SCHEMBL29670463 0.78 CTSL (0.60) MMEECE1CAPN1CTSK

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
CN-114867734-A Method for synthesizing peptide compound 中外制药株式会社 2022-08-05 CN disclosed