SCHEMBL3378239

SCHEMBL3378239

CC(C)(C)OC(=O)NC(CC=O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.46
CTSS P25774 4/20 0.46
FAAH O00519 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
SCN9A Q15858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL27674504 1.00 CTSK (0.46) CTSKCTSSFAAHTSHRMEN1
SCHEMBL29952714 0.86 PPARG (0.44) CTSKCTSSTSHRLMNAMAPT
SCHEMBL29955950 0.86 PPARG (0.44) CTSKCTSSTSHRLMNAMAPT
SCHEMBL29465735 0.86 CTSK (0.52) CTSKCTSSMAPTATM
SCHEMBL717324 0.86 CTSK (0.52) CTSKCTSSMAPTATM
SCHEMBL1784108 0.86 CTSK (0.52) CTSKCTSSMAPTATM
SCHEMBL5460811 0.86 CTSK (0.52) CTSKCTSSMAPTATM
SCHEMBL29955160 0.85 NPSR1 (0.46) CTSKCTSSFAAHMAPTALDH1A1
SCHEMBL29955896 0.85 NPSR1 (0.46) CTSKCTSSFAAHMAPTALDH1A1
SCHEMBL6091745 0.85 CTSK (0.47) CTSKCTSSTSHRLMNAMAPT

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-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 WO disclosed