SCHEMBL587533

SCHEMBL587533

OC1CCN(CCl)CC1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
GBA1 P04062 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NGLY1 Q96IV0 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
GANAB Q14697 1/20 0.35
THRB P10828 1/20 0.32
FUCA1 P04066 2/20 0.31
SLC18A3 Q16572 1/20 0.31
GLB1 P16278 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
SCHEMBL1856934 0.78 GBA1 (0.33) GAAGBA1MEN1CYP1A2CYP2C9
SCHEMBL3380659 0.76 GAA (0.31) GAAGBA1MEN1CYP1A2CYP2C9
SCHEMBL28960011 0.76 GLB1 (0.43) GBA1GBA2GLB1
SCHEMBL14120089 0.76 SMN1; SMN2 (0.42) GBA1GLB1
SCHEMBL13037926 0.76 SMN1; SMN2 (0.42) GBA1GLB1
SCHEMBL23475172 0.76 SMN1; SMN2 (0.42) GBA1GLB1
SCHEMBL586660 0.76 GAA (0.31) GAAGBA1MEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL588645 0.74 GAA (0.30) GAAGBA1MEN1CYP1A2CYP2C9
SCHEMBL14504066 0.71 GLB1 (0.31) GAAGLB1
SCHEMBL14505297 0.71 GLB1 (0.31) GAAGLB1

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-2416655-A1 METHODS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM Amicus Therapeutics, Inc. (US) 2012-02-15 EP claimed
EP-2416656-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS Amicus Therapeutics, Inc. (US) 2012-02-15 EP claimed
WO-2010118282-A1 METHODS FOR PREVENTING AND/OR TREATING DEGENERATIVE DISORDERS OF THE CENTRAL NERVOUS SYSTEM AMICUS THERAPEUTICS, INC. (US) 2010-10-14 WO claimed
WO-2010118283-A1 METHODS FOR PREVENTING AND/OR TREATING LYSOSOMAL STORAGE DISORDERS AMICUS THERAPEUTICS, INC. (US) 2010-10-14 WO claimed