SCHEMBL30759437

SCHEMBL30759437

O=C(N[C@@H](Cc1ccccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.54
TP53 P04637 3/20 0.54
MDM2 Q00987 6/20 0.54
CASP3 P42574 2/20 0.49
SLC17A5 Q9NRA2 1/20 0.48
KMT2A Q03164 2/20 0.46
TLR2 O60603 1/20 0.45

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
SCHEMBL29908014 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL119553 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL29928742 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL119590 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL3724545 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL29401176 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25185746 0.92 MDM4 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL25657518 0.92 MDM4 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL30422430 0.92 MDM4 (0.52) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL22636173 0.89 MDM2 (0.60) MDM4TP53MDM2CASP3SLC17A5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 WO disclosed
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed