SCHEMBL13619073

SCHEMBL13619073

CC(C=O)(C=O)C(=O)NNc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.56
ALOX5 P09917 2/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 4/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CRHR1 P34998 1/20 0.42
F2 P00734 1/20 0.42
LMNA P02545 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
SCHEMBL6637261 0.81 GAA (0.62) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL3823901 0.75 GAA (0.57) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL16312775 0.75 ALOX5 (0.57) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL2231647 0.73 GAA (0.58) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL9168327 0.71 GAA (0.48) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL10117694 0.71 GAA (0.56) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL10172577 0.70 ALOX5 (0.57) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL7663635 0.70 ALOX5 (0.56) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL425872 0.70 ALOX5 (1.00) GAAALOX5CYP3A4TSHRALOX12
SCHEMBL588131 0.70 ALOX5 (1.00) GAAALOX5CYP3A4TSHRALOX12

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
WO-2009137448-A2 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS HENKEL CORPORATION (US) 2009-11-12 WO disclosed