SCHEMBL29125239

SCHEMBL29125239

CC(C)(NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MDM2 Q00987 4/20 0.39
▸ CASP3 P42574 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL31494720 0.91 MDM4 (0.43) MDM4TP53MDM2CASP3
Trifluoroacetic Acid SCHEMBL29125245 0.91 MDM4 (0.43) MDM4TP53MDM2CASP3
SCHEMBL15067200 0.89 MDM4 (0.46) MDM4TP53MDM2CASP3
SCHEMBL16278331 0.89 MDM4 (0.46) MDM4TP53MDM2CASP3
SCHEMBL30195106 0.89 MDM4 (0.46) MDM4TP53MDM2CASP3
SCHEMBL30195150 0.84 MDM4 (0.40) MDM4TP53MDM2
SCHEMBL30195131 0.81 PTPN1 (0.44) MDM4TP53MDM2CASP3
SCHEMBL12057757 0.81 MDM4 (0.45) MDM4TP53MDM2CASP3
SCHEMBL30429641 0.81 MDM4 (0.46) MDM4TP53MDM2CASP3
SCHEMBL1405816 0.80 MDM4 (0.54) MDM4TP53MDM2CASP3

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-110041399-B Dipeptides comprising non-proteinogenic amino acids 诺沃—诺迪斯克有限公司 2023-12-12 — — CN disclosed
Send feedback