SCHEMBL7744520

SCHEMBL7744520

O=S(=O)(O)OCCCNC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
CXCR4 P61073 3/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
EPHX2 P34913 1/20 0.40
CXCL12 P48061 1/20 0.39
POLB P06746 1/20 0.39
XDH P47989 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL17923275 0.77 CXCR4 (0.46) KDM4ECXCR4ALDH1A1KMT2ACXCL12
SCHEMBL165817 0.77 CXCR4 (0.46) KDM4ECXCR4ALDH1A1KMT2ACXCL12
SCHEMBL21518399 0.77 CXCR4 (0.46) KDM4ECXCR4ALDH1A1KMT2ACXCL12
SCHEMBL918578 0.77 CXCR4 (0.46) KDM4ECXCR4ALDH1A1KMT2ACXCL12
SCHEMBL21518374 0.77 CXCR4 (0.46) KDM4ECXCR4ALDH1A1KMT2ACXCL12
SCHEMBL37872 0.77 CXCR4 (0.46) KDM4ECXCR4ALDH1A1KMT2ACXCL12
SCHEMBL31100384 0.75 CXCR4 (0.45) KDM4ECXCR4ALDH1A1KMT2ACXCL12
Ammonia Solution, Strong SCHEMBL4735488 0.75 CXCR4 (0.45) KDM4ECXCR4ALDH1A1KMT2ACXCL12
Hydrochloric Acid SCHEMBL29233618 0.75 CXCR4 (0.45) KDM4ECXCR4ALDH1A1KMT2ACXCL12
SCHEMBL3857080 0.75 CXCR4 (0.45) KDM4ECXCR4ALDH1A1KMT2ACXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021720-A4 ELECTROCHEMICAL DETERMINATION OF FRUCTOSAMINE LXN CORP (US) 2001-05-16 EP disclosed
EP-1021720-A1 ELECTROCHEMICAL DETERMINATION OF FRUCTOSAMINE LXN Corporation (US) 2000-07-26 EP disclosed
WO-1997014965-A1 ELECTROCHEMICAL DETERMINATION OF FRUCTOSAMINE LXN CORPORATION (US) 1997-04-24 WO disclosed
EP-0750745-A1 CAPILLARY ELECTROPHORESIS OF GLYCOSYLATED PROTEINS BECKMAN INSTRUMENTS, INC. (US) 1997-01-02 EP disclosed
WO-1996022524-A1 CAPILLARY ELECTROPHORESIS OF GLYCOSYLATED PROTEINS BECKMAN INSTRUMENTS, INC. (US) 1996-07-25 WO disclosed