SCHEMBL8637708

SCHEMBL8637708

OCCC1COC2(CCCCC2)O1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
PABPC1 P11940 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 2/20 0.41
HTR1A P08908 4/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1B P35368 3/20 0.40
ALDH1A1 P00352 3/20 0.38
BRD4 O60885 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
RIN1 Q13671 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA1A P35348 2/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL2757797 0.86 GAA (0.45) GAAPABPC1CTDSP1TMEM97SIGMAR1
SCHEMBL714617 0.84 PABPC1 (0.53) GAAPABPC1CTDSP1TMEM97SIGMAR1
SCHEMBL8625830 0.84 PABPC1 (0.53) GAAPABPC1CTDSP1TMEM97SIGMAR1
SCHEMBL8200760 0.84 PABPC1 (0.53) GAAPABPC1CTDSP1TMEM97SIGMAR1
SCHEMBL1487109 0.84 PABPC1 (0.53) GAAPABPC1CTDSP1TMEM97SIGMAR1
SCHEMBL8192982 0.84 PABPC1 (0.53) GAAPABPC1CTDSP1TMEM97SIGMAR1
SCHEMBL6580747 0.82 GAA (0.50) GAAPABPC1CTDSP1TMEM97SIGMAR1
SCHEMBL6218416 0.82 GAA (0.50) GAAPABPC1CTDSP1TMEM97SIGMAR1
SCHEMBL12943471 0.81 PABPC1 (0.54) GAAPABPC1CTDSP1TMEM97SIGMAR1
SCHEMBL9373459 0.79 PABPC1 (0.45) GAAPABPC1CTDSP1TMEM97SIGMAR1

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
EP-0835251-A1 PROCESS FOR THE PRODUCTION OF LIPOIC ACID ASTA Medica Aktiengesellschaft (DE) 1998-04-15 EP disclosed