SCHEMBL5309508

SCHEMBL5309508

CCOS(=O)(=O)O.O=C(O)CN(CC(=O)O)CC(O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL78809 0.80 TDP1 (0.46) EYA2APPACETDP1
SCHEMBL28518317 0.78 TDP1 (0.44) EYA2APPACETDP1
Edetic Acid SCHEMBL2540798 0.75 TDP1 (0.58) EYA2APPACETDP1
SCHEMBL5933810 0.70 TDP1 (0.37) EYA2APPACETDP1
SCHEMBL25349886 0.70 CA1 (0.33)
Acetic Acid SCHEMBL15211036 0.68 CA2 (0.42) TDP1
SCHEMBL7214 0.67
SCHEMBL5155423 0.67 KDM4E (0.37) EYA2APPACETDP1
SCHEMBL21228 0.67 TDP1 (0.44) EYA2APPACETDP1
SCHEMBL3342184 0.67 TDP1 (0.44) EYA2APPACETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 WO disclosed
WO-2004064762-A9 NOVEL COCRYSTALLIZATION S S C I INC (US) 2006-07-27 WO disclosed