SCHEMBL20726313

SCHEMBL20726313

CCN1CCC(O)CC1CO

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.37
GBA1 P04062 4/20 0.37
GAA P10253 1/20 0.36
GBA2 Q9HCG7 2/20 0.35
SPHK2 Q9NRA0 9/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL20726306 1.00 SPHK1 (0.37) SPHK1GBA1GAAGBA2SPHK2
SCHEMBL10511567 0.86 ALDH1A1 (0.33) GBA1ALDH1A1
SCHEMBL23912945 0.85 GBA1 (0.50) SPHK1GBA1GAAGBA2SPHK2
SCHEMBL20726262 0.85 GBA1 (0.50) SPHK1GBA1GAAGBA2SPHK2
SCHEMBL23517199 0.82 GBA2 (0.53) SPHK1GBA1GAAGBA2SPHK2
SCHEMBL19512642 0.82 GBA2 (0.53) SPHK1GBA1GAAGBA2SPHK2
SCHEMBL28793776 0.81 SPHK1 (0.34) SPHK1GBA1GBA2SPHK2
SCHEMBL16941609 0.81
SCHEMBL22208100 0.81
SCHEMBL16978990 0.81

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-3782655-A1 A METHOD FOR THE TREATMENT OF POMPE DISEASE USING 1-DEOXYNOJIRIMYCIN AND DERIVATIVES Amicus Therapeutics, Inc. (US) 2021-02-24 EP disclosed
EP-3441090-A1 A METHOD FOR THE TREATMENT OF POMPE DISEASE USING 1-DEOXYNOJIRIMYCIN AND DERIVATIVES Amicus Therapeutics, Inc. (US) 2019-02-13 EP disclosed