SCHEMBL19944056

SCHEMBL19944056

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.53
▸ MDM2 Q00987 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PIN1 Q13526 1/20 0.43
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 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
SCHEMBL31098370 0.85 CASP3 (0.47) CASP3KMT2APIN1MDM4TP53
SCHEMBL8210873 0.85 CASP3 (0.48) CASP3KMT2APIN1MDM4TP53
SCHEMBL28522099 0.85 CASP3 (0.48) CASP3KMT2APIN1MDM4TP53
SCHEMBL29403817 0.84 CASP3 (0.45) CASP3MDM2KMT2APIN1MDM4
SCHEMBL21403411 0.84 CASP3 (0.45) CASP3MDM2KMT2APIN1MDM4
SCHEMBL31098371 0.84 CASP3 (0.45) CASP3MDM2KMT2APIN1MDM4
SCHEMBL21416088 0.84 CASP3 (0.45) CASP3MDM2KMT2APIN1MDM4
SCHEMBL21403410 0.84 CASP3 (0.45) CASP3MDM2KMT2APIN1MDM4
SCHEMBL21432488 0.84 CASP3 (0.45) CASP3MDM2KMT2APIN1MDM4
SCHEMBL7423417 0.84 CASP3 (0.57) CASP3MDM2KMT2AMDM4TP53

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
EP-2655395-B1 METHOD FOR CROSS-LINKING PEPTIDES UNIV GENT (BE) 2018-03-07 — — EP disclosed
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