SCHEMBL5704283

SCHEMBL5704283

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.72
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
LMNA P02545 2/20 0.72
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
BCAT2 O15382 1/20 0.58
ASAH1 Q13510 1/20 0.55
TAAR1 Q96RJ0 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
MMP8 P22894 1/20 0.49
GAA P10253 1/20 0.49
AOC3 Q16853 3/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL10441979 1.00 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL8062422 1.00 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL11657304 0.87 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL5696631 0.87 NPC1 (0.55) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL15738570 0.85 SMN1; SMN2 (0.92) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL8047567 0.85 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL1950765 0.84 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL8170647 0.84 NPC1 (0.52) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL28333257 0.84 NPC1 (0.52) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL25496788 0.83 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ALMNAKDM4E

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-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed