SCHEMBL13063460

SCHEMBL13063460

COC(=O)OCC1COC(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.51
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR7 P34969 1/20 0.36
F10 P00742 1/20 0.34
NAMPT P43490 3/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL18395904 0.91 CA2 (0.56) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL6943821 0.91 CA2 (0.56) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL7042446 0.88 CA2 (0.53) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL10441415 0.87 CA2 (0.51) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL13651150 0.85 CA2 (0.50) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL10032797 0.85 CA2 (0.54) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL4132454 0.85 CA2 (0.50) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL3685538 0.85 CA2 (0.53) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL461346 0.84 CA2 (0.56) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL6575404 0.84 CA2 (0.56) CA2ALDH1A1NPSR1TMEM97SIGMAR1

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-7858606-B2 Triterpenoid derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-12-28 US disclosed