SCHEMBL8183448

SCHEMBL8183448

CON1CC(CO)C(O)C(OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.44
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
PYGL P06737 1/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
CTSV O60911 1/20 0.39
CTSS P25774 1/20 0.39
CTSC P53634 1/20 0.39
CTSF Q9UBX1 1/20 0.39
PDE4D Q08499 1/20 0.39
GAA P10253 1/20 0.37
UGCG Q16739 1/20 0.36
GBA2 Q9HCG7 1/20 0.36

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
SCHEMBL8181514 1.00 GBA1 (0.44) GBA1PSEN1PSEN2APH1BNCSTN
SCHEMBL8187072 0.84 GBA1 (0.47) GBA1PYGLCTSLCTSBCTSK
SCHEMBL439043 0.82 GBA1 (0.44) GBA1PSEN1PSEN2APH1BNCSTN
SCHEMBL2454394 0.80 GBA1 (0.66) GBA1PYGL
SCHEMBL403643 0.80 GBA1 (0.66) GBA1PYGL
SCHEMBL440211 0.80 GBA1 (0.66) GBA1PYGL
SCHEMBL8172188 0.79 GBA1 (0.58) GBA1PYGLPDE4DGAAUGCG
SCHEMBL5447024 0.79 SMN1; SMN2 (0.48) GBA1
SCHEMBL8185201 0.78 PYGL (0.54) GBA1PYGL
SCHEMBL8176411 0.76 PYGL (0.69) GBA1PYGLGAA

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-0983239-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-03-08 EP disclosed
WO-1998050359-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-11-12 WO disclosed