SCHEMBL29516656

SCHEMBL29516656

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.69
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59
PTGS2 P35354 1/20 0.59
THPO P40225 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FOLH1 Q04609 1/20 0.46
NOD1 Q9Y239 1/20 0.46
DPP4 P27487 1/20 0.44
ENPEP Q07075 3/20 0.42
MME P08473 3/20 0.42
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
PAX8 Q06710 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL2544386 1.00 ACE (0.69) ACEKDM4EMAPTTHRBALOX15
SCHEMBL29511093 1.00 ACE (0.69) ACEKDM4EMAPTTHRBALOX15
SCHEMBL28303549 1.00 ACE (0.69) ACEKDM4EMAPTTHRBALOX15
SCHEMBL2544384 1.00 ACE (0.69) ACEKDM4EMAPTTHRBALOX15
SCHEMBL29476622 1.00 ACE (0.69) ACEKDM4EMAPTTHRBALOX15
Water SCHEMBL2599749 0.98 ACE (0.67) ACEKDM4EMAPTTHRBALOX15
SCHEMBL31599213 0.98 ACE (0.67) ACEKDM4EMAPTTHRBALOX15
Water SCHEMBL2599751 0.98 ACE (0.67) ACEKDM4EMAPTTHRBALOX15
SCHEMBL31696942 0.96 ACE (0.65) ACEKDM4EMAPTTHRBALOX15
SCHEMBL29850413 0.93 ACE (0.61) ACEKDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511384-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME Provincial Health Services Authority (CA) 2025-02-26 EP disclosed
WO-2023201435-A1 CXCR4-TARGETING COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-10-26 WO disclosed
EP-4232459-A1 NOVEL CXCR4-TARGETING COMPOUNDS Provincial Health Services Authority (CA) 2023-08-30 EP disclosed
WO-2022082312-A1 NOVEL CXCR4-TARGETING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-04-28 WO disclosed