SCHEMBL7381128

SCHEMBL7381128

CC(CCO)CN(C(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1980169 0.84 MEN1 (0.32) MEN1HTTKMT2AL3MBTL1
SCHEMBL16699764 0.81 THRB (0.34) MEN1HTTKMT2AL3MBTL1
SCHEMBL22229966 0.78 GABBR2 (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL203296 0.78 GABRP (0.37) ALDH1A1MEN1HTTKMT2AL3MBTL1
SCHEMBL1248340 0.78 GABRP (0.37) ALDH1A1MEN1HTTKMT2AL3MBTL1
SCHEMBL13731404 0.75 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL14481587 0.75 ALDH1A1 (0.34) TRPA1ALDH1A1ALOX15
SCHEMBL1952760 0.75 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL1979048 0.75 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1
SCHEMBL16862540 0.74 MEN1 (0.33) MEN1HTTKMT2AL3MBTL1

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
EP-1196410-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-17 EP disclosed
WO-2001000615-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 WO disclosed