SCHEMBL30645673

SCHEMBL30645673

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

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.57
MDM4 O15151 2/20 0.52
TP53 P04637 2/20 0.52
TLR2 O60603 2/20 0.51
KMT2A Q03164 1/20 0.50
CASP3 P42574 1/20 0.48

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
SCHEMBL29383813 1.00 MDM2 (0.57) MDM2MDM4TP53TLR2KMT2A
SCHEMBL4612512 1.00 MDM2 (0.57) MDM2MDM4TP53TLR2KMT2A
SCHEMBL4612515 1.00 MDM2 (0.57) MDM2MDM4TP53TLR2KMT2A
SCHEMBL14039221 1.00 MDM2 (0.57) MDM2MDM4TP53TLR2KMT2A
SCHEMBL29362665 1.00 MDM2 (0.57) MDM2MDM4TP53TLR2KMT2A
SCHEMBL30385460 1.00 MDM2 (0.57) MDM2MDM4TP53TLR2KMT2A
SCHEMBL31180735 0.96 MDM2 (0.55) MDM2MDM4TP53TLR2KMT2A
SCHEMBL1000910 0.96 MDM2 (0.55) MDM2MDM4TP53TLR2KMT2A
SCHEMBL29594390 0.96 MDM2 (0.55) MDM2MDM4TP53TLR2KMT2A
SCHEMBL29400825 0.96 MDM2 (0.55) MDM2MDM4TP53TLR2KMT2A

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-110776555-B Difunctional D-amino acid modified opioid peptide compound and synthetic method and application thereof 王锐 2023-10-13 CN disclosed