SCHEMBL31287971

SCHEMBL31287971

NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
GSTK1 Q9Y2Q3 1/20 0.54
ACE P12821 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FOLH1 Q04609 1/20 0.39
FNTA P49354 4/20 0.36
FNTB P49356 4/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
PGGT1B P53609 1/20 0.34
GLO1 Q04760 1/20 0.33

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
SCHEMBL29567569 1.00 PTGS1 (0.54) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL29567393 0.94 PTGS1 (0.51) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL29567345 0.94 PTGS1 (0.51) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL30484374 0.92 PTGS1 (0.47) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL30392676 0.90 PTGS1 (0.61) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL29532503 0.90 PTGS1 (0.45) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL30730723 0.89 ACE (0.49) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL7790449 0.88 KDM4E (0.48) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL7790453 0.88 KDM4E (0.48) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL29865388 0.88 ACE (0.46) PTGS1GSTK1ACEKDM4EMAPT

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-4746912-A1 ORGANIC CYTOTOXIN OLIGOMERS AND USES THEREOF AS A PAYLOAD IN ANTIBODY-DRUG CONJUGATES Simris Biologics GmbH (DE) 2026-05-27 EP disclosed
WO-2025021727-A1 ORGANIC CYTOTOXIN OLIGOMERS AND USES THEREOF AS A PAYLOAD IN ANTIBODY-DRUG CONJUGATES SIMRIS BIOLOGICS GMBH (DE) 2025-01-30 WO disclosed
EP-4494656-A1 ORGANIC CYTOTOXIN OLIGOMERS AND USES THEREOF AS A PAYLOAD IN ANTIBODY-DRUG CONJUGATES Simris Biologics GmbH (DE) 2025-01-22 EP disclosed