SCHEMBL29402992

SCHEMBL29402992

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.50
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ PIN1 Q13526 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MDM2 Q00987 1/20 0.44

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
SCHEMBL30883312 1.00 CASP3 (0.50) CASP3MDM4TP53KMT2APIN1
SCHEMBL22951115 0.90 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL7427119 0.88 CASP3 (0.56) CASP3MDM4TP53KMT2APIN1
SCHEMBL22951112 0.88 CASP3 (0.56) CASP3MDM4TP53KMT2APIN1
SCHEMBL13010967 0.87 MDM4 (0.48) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL17830013 0.87 MDM4 (0.48) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL13984381 0.87 MDM4 (0.48) CASP3MDM4TP53KMT2AEPHX2
SCHEMBL21416088 0.87 CASP3 (0.45) CASP3MDM4TP53KMT2APIN1
SCHEMBL21403411 0.87 CASP3 (0.45) CASP3MDM4TP53KMT2APIN1
SCHEMBL21432488 0.87 CASP3 (0.45) CASP3MDM4TP53KMT2APIN1

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-114080395-A Synthesis method of alpha-amanitine and derivatives thereof 纯生物有机有限公司 2022-02-22 — — CN disclosed
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