SCHEMBL20726262

SCHEMBL20726262

CCCN1CCC(O)CC1CO

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.50
SPHK1 Q9NYA1 12/20 0.43
GBA2 Q9HCG7 2/20 0.40
GAA P10253 1/20 0.40
SPHK2 Q9NRA0 10/20 0.38

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
SCHEMBL23912945 1.00 GBA1 (0.50) GBA1SPHK1GBA2GAASPHK2
SCHEMBL19512642 0.89 GBA2 (0.53) GBA1SPHK1GBA2GAASPHK2
SCHEMBL23517199 0.89 GBA2 (0.53) GBA1SPHK1GBA2GAASPHK2
SCHEMBL18557917 0.86 GBA1 (0.55) GBA1SPHK1GBA2GAASPHK2
SCHEMBL20726313 0.85 SPHK1 (0.37) GBA1SPHK1GBA2GAASPHK2
SCHEMBL23913040 0.85 SPHK1 (0.39) GBA1SPHK1GAASPHK2
SCHEMBL20726306 0.85 SPHK1 (0.37) GBA1SPHK1GBA2GAASPHK2
SCHEMBL20862256 0.85 SPHK1 (0.39) GBA1SPHK1GAASPHK2
SCHEMBL24319642 0.81 GBA1 (0.46) GBA1SPHK1GBA2GAASPHK2
SCHEMBL24319515 0.81 GBA1 (0.46) GBA1SPHK1GBA2GAASPHK2

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