SCHEMBL8895914

SCHEMBL8895914

CCN1CCC(O)[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.38
ALDH1A1 P00352 2/20 0.37
GBA2 Q9HCG7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31

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
SCHEMBL29980186 1.00 GBA1 (0.38) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
SCHEMBL141885 1.00 GBA1 (0.38) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL4489522 0.98 GBA1 (0.37) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL28944195 0.98 GBA1 (0.37) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
SCHEMBL20999454 0.90 ALDH1A1 (0.44) ALDH1A1L3MBTL1SMN1; SMN2RAB9AHTT
SCHEMBL13973961 0.84 GBA1 (0.36) GBA1ALDH1A1GBA2L3MBTL1SMN1; SMN2
SCHEMBL19286910 0.84 SMN1; SMN2 (0.44) GBA1ALDH1A1GBA2SMN1; SMN2GAA
SCHEMBL12155329 0.84 GBA1 (0.51) GBA1GBA2SMN1; SMN2GAA
SCHEMBL12191642 0.84 GBA1 (0.51) GBA1GBA2SMN1; SMN2GAA
SCHEMBL8894199 0.84 GBA1 (0.51) GBA1GBA2SMN1; SMN2GAA

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-5665371-A SIDE EFFECT REDUCTION HOERRMANN WILHELM (DE) 1997-09-09 US claimed