SCHEMBL31697682

SCHEMBL31697682

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.60
KMT2A Q03164 2/20 0.52
MDM4 O15151 2/20 0.52
TP53 P04637 2/20 0.52
EPHX2 P34913 1/20 0.49
PIN1 Q13526 1/20 0.48
MDM2 Q00987 1/20 0.46

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
SCHEMBL29356434 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29375252 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30307097 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL120703 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL799720 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL178791 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29423588 1.00 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
Hydrochloric Acid SCHEMBL6779156 0.99 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
Fluoride SCHEMBL7158848 0.99 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29068310 0.95 CASP3 (0.64) CASP3KMT2AMDM4TP53EPHX2

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-4631955-A1 PURIFICATION METHOD AND PRODUCTION METHOD OF CYCLIC PEPTIDE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-10-15 EP disclosed