SCHEMBL21778432

SCHEMBL21778432

CCCCCCCCN1CC1CC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 13/20 0.44
GBA1 P04062 7/20 0.44
GAA P10253 3/20 0.44
UGCG Q16739 1/20 0.44
GUSB P08236 2/20 0.44
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL28981624 0.83 GBA2 (0.42) GBA2GBA1GAAUGCGGUSB
SCHEMBL4893528 0.83 GBA2 (0.54) GBA2GBA1GAAUGCG
SCHEMBL10940184 0.83 GBA2 (0.42) GBA2GBA1GAAUGCGGUSB
SCHEMBL4892211 0.83 GBA2 (0.54) GBA2GBA1GAAUGCG
SCHEMBL4885572 0.83 GBA2 (0.54) GBA2GBA1GAAUGCG
SCHEMBL5691697 0.76 EBP (0.52) GBA2GBA1GAAUGCGGUSB
SCHEMBL28479251 0.76 EBP (0.52) GBA2GBA1GAAUGCGGUSB
SCHEMBL28813835 0.76 EBP (0.52) GBA2GBA1GAAUGCGGUSB
SCHEMBL28489520 0.76 EBP (0.52) GBA2GBA1GAAUGCGGUSB
SCHEMBL8459951 0.76 EBP (0.52) GBA2GBA1GAAUGCGGUSB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10578624-B2 Determination of glycosaminoglycan levels by mass spectrometry SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2020-03-03 US disclosed