SCHEMBL29471034

SCHEMBL29471034

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.47
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MDM2 Q00987 1/20 0.46
▸ BACE1 P56817 1/20 0.44
▸ TNF P01375 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL29462660 0.93 CASP3 (0.50) CASP3MDM4TP53MDM2BACE1
SCHEMBL31210305 0.92 MDM4 (0.51) CASP3MDM4TP53MDM2TNF
SCHEMBL22264471 0.88 MDM4 (0.51) CASP3MDM4TP53MDM2TNF
SCHEMBL29372063 0.88 MDM4 (0.51) CASP3MDM4TP53MDM2TNF
SCHEMBL29471032 0.88 MDM4 (0.44) CASP3MDM4TP53MDM2BACE1
SCHEMBL30107564 0.87 CASP3 (0.54) CASP3MDM4TP53MDM2BACE1
SCHEMBL30414754 0.84 MDM2 (0.53) CASP3MDM4TP53MDM2TNF
SCHEMBL872021 0.84 MDM4 (0.55) CASP3MDM4TP53MDM2TNF
SCHEMBL46349 0.84 MDM4 (0.55) CASP3MDM4TP53MDM2TNF
SCHEMBL3722284 0.84 MDM4 (0.55) CASP3MDM4TP53MDM2TNF

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
US-20230357314-A1 METHODS FOR ULTRAFAST FORMATION OF DISULFIDE BONDS IN PEPTIDES AND PROTEINS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-11-09 — — US disclosed
WO-2022064500-A1 METHODS FOR ULTRAFAST FORMATION OF DISULFIDE BONDS IN PEPTIDES AND PROTEINS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2022-03-31 — — WO disclosed
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