SCHEMBL2435976

SCHEMBL2435976

O=C1CC(O)(O)C(=O)N1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.51
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
CTRC Q99895 1/20 0.50
GSK3A P49840 3/20 0.49
GSK3B P49841 3/20 0.49
PTGDR2 Q9Y5Y4 5/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MGLL Q99685 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8416125 0.82 ELANE (0.55) ELANEF2PLGCTSGCMA1
SCHEMBL16397249 0.81 ELANE (0.53) ELANEF2PLGCTSGCMA1
SCHEMBL9179469 0.80 ALDH1A1 (0.53) ELANEF2PLGCTSGCMA1
SCHEMBL2257976 0.79 ELANE (0.61) ELANEF2PLGCTSGCMA1
SCHEMBL16714701 0.79 ELANE (0.51) ELANEF2PLGCTSGCMA1
SCHEMBL7932603 0.77 ELANE (0.57) ELANEF2PLGCTSGCMA1
SCHEMBL24126788 0.76 ELANE (0.56) ELANEF2PLGCTSGCMA1
SCHEMBL9634937 0.76 ELANE (0.47) ELANEF2PLGCTSGCMA1
SCHEMBL9824381 0.76 ELANE (0.57) ELANEF2PLGCTSGCMA1
SCHEMBL4002014 0.75 ELANE (0.53) ELANEF2PLGCTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed