SCHEMBL27604454

SCHEMBL27604454

CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C=O)CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.62
▸ KMT2A Q03164 2/20 0.46
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CASP1 P29466 3/20 0.42
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL5497707 1.00 CASP3 (0.62) CASP3KMT2AMDM4TP53CASP1
SCHEMBL5497705 1.00 CASP3 (0.62) CASP3KMT2AMDM4TP53CASP1
SCHEMBL4552562 0.90 CASP3 (0.71) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13256276 0.90 CASP3 (0.71) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31498750 0.90 CASP3 (0.71) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL27577211 0.90 CASP3 (0.76) CASP3KMT2ACASP1
SCHEMBL27577210 0.90 CASP3 (0.76) CASP3KMT2ACASP1
SCHEMBL30645326 0.85 CASP3 (0.59) CASP3KMT2AMDM4TP53
SCHEMBL30355286 0.85 CASP3 (0.59) CASP3KMT2AMDM4TP53
SCHEMBL30788724 0.84 CASP3 (0.58) CASP3KMT2AMDM4TP53

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-1525978-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases 伊邓药品公司 2004-09-01 — — CN disclosed
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