SCHEMBL29008318

SCHEMBL29008318

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ CASP3 P42574 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MDM2 Q00987 1/20 0.47
▸ SLC17A5 Q9NRA2 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
SCHEMBL8303670 1.00 MDM4 (0.50) MDM4TP53CASP3KMT2AMDM2
SCHEMBL30384784 1.00 MDM4 (0.50) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29386346 0.90 CASP3 (0.57) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29361981 0.90 CASP3 (0.57) MDM4TP53CASP3KMT2AMDM2
SCHEMBL2313063 0.90 CASP3 (0.57) MDM4TP53CASP3KMT2AMDM2
SCHEMBL7423417 0.90 CASP3 (0.57) MDM4TP53CASP3KMT2AMDM2
SCHEMBL13636676 0.90 MDM4 (0.51) MDM4TP53CASP3KMT2AMDM2
SCHEMBL29423514 0.90 CASP3 (0.57) MDM4TP53CASP3KMT2AMDM2
SCHEMBL13163967 0.90 CASP3 (0.57) MDM4TP53CASP3KMT2AMDM2
SCHEMBL2247204 0.89 MDM4 (0.49) MDM4TP53CASP3KMT2AMDM2

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-114948860-B Supermolecule hydrogel nano material, gel factor, preparation method and application thereof 东南大学 2023-04-28 — — CN claimed
CN-114948860-B Supermolecule hydrogel nano material, gel factor, preparation method and application thereof 东南大学 2023-04-28 — — CN disclosed
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