SCHEMBL8047567

SCHEMBL8047567

COC(=O)NC[C@@H](O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
LMNA P02545 1/20 0.64
BCAT2 O15382 1/20 0.64
KDM4E B2RXH2 4/20 0.57
TAAR1 Q96RJ0 1/20 0.57
ASAH1 Q13510 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
AOC3 Q16853 3/20 0.52
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL8062422 0.85 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL5704283 0.85 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL10441979 0.85 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL350453 0.83 NPC1 (0.58) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL7739354 0.83 NPC1 (0.58) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL1624911 0.83 NPC1 (0.58) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL12546804 0.83 MTNR1A (0.51) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL28335620 0.82 NPC1 (0.56) SMN1; SMN2NPC1RAB9ALMNATAAR1
SCHEMBL885090 0.81 BCAT2 (0.68) SMN1; SMN2NPC1RAB9ALMNABCAT2
SCHEMBL50338 0.81 BCAT2 (0.68) SMN1; SMN2NPC1RAB9ALMNABCAT2

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-0844992-B1 PROCESS FOR PRODUCING BETA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA (DE) 2000-05-24 EP disclosed
US-5932758-A Process for the production β-amino-α-hydroxycarboxylic acids and derivatives thereof DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
EP-0844992-A1 PROCESS FOR PRODUCING $g(b)-AMINO-$g(a)-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF Degussa Aktiengesellschaft (DE) 1998-06-03 EP disclosed
WO-1997002236-A1 PROCESS FOR PRODUCING β-AMINO-α-HYDROXYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-01-23 WO disclosed