SCHEMBL27577210

SCHEMBL27577210

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C=O)CC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 7/20 0.76
▸ KMT2A Q03164 2/20 0.44
▸ PIN1 Q13526 1/20 0.43
▸ CASP1 P29466 1/20 0.43

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
SCHEMBL27577211 1.00 CASP3 (0.76) CASP3KMT2APIN1CASP1
SCHEMBL8023154 0.91 CASP3 (0.68) CASP3KMT2APIN1
SCHEMBL7404856 0.90 CASP3 (0.63) CASP3KMT2APIN1CASP1
SCHEMBL5497707 0.90 CASP3 (0.62) CASP3KMT2ACASP1
SCHEMBL27604454 0.90 CASP3 (0.62) CASP3KMT2ACASP1
SCHEMBL5497705 0.90 CASP3 (0.62) CASP3KMT2ACASP1
SCHEMBL31498750 0.88 CASP3 (0.71) CASP3KMT2A
SCHEMBL4552562 0.88 CASP3 (0.71) CASP3KMT2A
SCHEMBL13256276 0.88 CASP3 (0.71) CASP3KMT2A
SCHEMBL8039254 0.87 CASP3 (0.62) CASP3KMT2ACASP1

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 2 patents. 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
CN-1313846-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases IDUN PHARMACEUTICALS INC (US) 2001-09-19 — — CN disclosed
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