SCHEMBL4032065

SCHEMBL4032065

COC(CCCC1CNC(=O)N1O)OC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FHIT P49789 1/20 0.31

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
SCHEMBL20956896 0.72 FHIT (0.32) MEN1KMT2AFHIT
SCHEMBL2084138 0.59 BCHE (0.30)
SCHEMBL22237524 0.58
SCHEMBL30258628 0.58 GNAO1 (0.36)
SCHEMBL6298010 0.58 SMPD1 (0.32)
SCHEMBL1426982 0.58
SCHEMBL4058771 0.57 GLA (0.41) MEN1KMT2A
SCHEMBL18952911 0.56 CYP1A2 (0.38) MEN1KMT2A
SCHEMBL30006 0.56
SCHEMBL7934735 0.56 SMPD1 (0.36)

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-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed