SCHEMBL6949347

SCHEMBL6949347

CC(C)(C)ON(C=O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
AOC3 Q16853 4/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 4/20 0.38
FDPS P14324 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL7463984 0.84 ESRRG (0.43) TAAR1MEN1KMT2AL3MBTL1SIGMAR1
SCHEMBL5741195 0.83 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL7763429 0.83 MEN1 (0.41) AOC3MEN1KMT2AHTTL3MBTL1
SCHEMBL4526988 0.82 MAOA (0.42) TAAR1AOC3SIGMAR1
SCHEMBL6027626 0.80 FDPS (0.41) FDPSDRD3
SCHEMBL445466 0.79 KCNH2 (0.48) SIGMAR1KCNH2
SCHEMBL28754827 0.78 CETP (0.33) ALOX5
SCHEMBL7274051 0.77 HSD17B10 (0.43) TAAR1MEN1KMT2ANPC1RAB9A
SCHEMBL4902030 0.76 POLB (0.40) MEN1KMT2AHTTL3MBTL1NPC1
SCHEMBL4732149 0.76 TRPA1 (0.36) TAAR1MEN1KMT2ACHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP disclosed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US disclosed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 EP disclosed
US-5608098-A Bis(aminomethyl)phosphinic acid derivatives and process for the preparation of bis(aminomethyl)phosphinic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed