SCHEMBL7996522

SCHEMBL7996522

C=CCCCO[C@H]1CCN(C(N)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.36
GAA P10253 1/20 0.32
FAAH O00519 2/20 0.31
MGLL Q99685 1/20 0.31
NAMPT P43490 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE4B Q07343 3/20 0.30
TEAD1 P28347 1/20 0.30
TEAD3 Q99594 1/20 0.30

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
SCHEMBL21767671 0.83 LSS (0.39) LSSFAAHMGLLNAMPTALDH1A1
SCHEMBL21767675 0.83 LSS (0.39) LSSFAAHMGLLNAMPTALDH1A1
SCHEMBL30094731 0.82 LSS (0.40) LSSFAAHMGLLNAMPTALDH1A1
SCHEMBL31063417 0.80 PRMT5 (0.43) ALDH1A1
SCHEMBL31063148 0.80 PRMT5 (0.43) ALDH1A1
SCHEMBL7997019 0.79 NAMPT (0.38) LSSNAMPTALDH1A1
SCHEMBL28559014 0.78 TEAD3 (0.37) LSSFAAHNAMPTTEAD1TEAD3
SCHEMBL21784674 0.77 PRMT5 (0.42) LSSALDH1A1
SCHEMBL21780530 0.77 PRMT5 (0.42) LSSALDH1A1
SCHEMBL31063081 0.76 PRMT5 (0.42) LSSALDH1A1

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-2009108507-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2009-09-03 WO disclosed