SCHEMBL30878000

SCHEMBL30878000

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

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.53
KMT2A Q03164 2/20 0.50
MDM4 O15151 2/20 0.50
TP53 P04637 2/20 0.50
EPHX2 P34913 1/20 0.47

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
SCHEMBL30593377 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1667826 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29357309 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30186613 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1667845 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL14407149 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30001216 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL16003177 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL22144908 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL178736 0.95 CASP3 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4608453-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-09-03 EP disclosed
WO-2024091437-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-02 WO disclosed