SCHEMBL5696158

SCHEMBL5696158

C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]1COC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MAPT P10636 1/20 0.35
RCE1 Q9Y256 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR1 O43613 1/20 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
SCHEMBL7157297 0.92 TMEM97 (0.39) HTTTMEM97SIGMAR1MAPTSLC6A2
SCHEMBL11961354 0.85 TMEM97 (0.38) HTTTMEM97SIGMAR1MAPTSLC6A2
SCHEMBL27695059 0.85 TMEM97 (0.38) HTTTMEM97SIGMAR1MAPTSLC6A2
SCHEMBL11961361 0.85 TMEM97 (0.38) HTTTMEM97SIGMAR1MAPTSLC6A2
SCHEMBL1487127 0.85 TMEM97 (0.38) HTTTMEM97SIGMAR1MAPTSLC6A2
SCHEMBL11961360 0.85 TMEM97 (0.38) HTTTMEM97SIGMAR1MAPTSLC6A2
SCHEMBL11961357 0.85 TMEM97 (0.38) HTTTMEM97SIGMAR1MAPTSLC6A2
SCHEMBL7991267 0.80 TMEM97 (0.36) HTTTMEM97SIGMAR1MAPTSLC1A3
SCHEMBL19619434 0.78 BCHE (0.33) HTTTMEM97SIGMAR1MAPTCYP1A2
SCHEMBL8743570 0.78 TMEM97 (0.38) TMEM97SIGMAR1MAPTSLC6A2SLC6A4

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-1669355-A1 Aminotetrahydropteridines and processes for manufacture thereof Vasopharm Biotech GmbH (DE) 2006-06-14 EP disclosed