SCHEMBL6851604

SCHEMBL6851604

c1coc(-c2scc3c2OCCO3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
HTT P42858 3/20 0.40
BAZ2B Q9UIF8 1/20 0.40
HSD17B10 Q99714 4/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 3/20 0.36
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
POLB P06746 4/20 0.35
PKM P14618 3/20 0.35
ALOX15 P16050 3/20 0.35
MEN1 O00255 2/20 0.35
CASP1 P29466 2/20 0.35
BLM P54132 2/20 0.35
CASP7 P55210 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 3/20 0.34

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
SCHEMBL2635510 0.79 HTT (0.41) ALDH1A1GAAHTTBAZ2BNPSR1
SCHEMBL880222 0.78 BAZ2B (0.47) ALDH1A1GAAHTTBAZ2BMAPT
SCHEMBL4145912 0.74 CHEK1 (0.48) ALDH1A1GAAHTTBAZ2BHSD17B10
SCHEMBL12414590 0.74 CHEK1 (0.42) ALDH1A1GAAHTTBAZ2BHSD17B10
SCHEMBL2635381 0.73 CHEK1 (0.47) ALDH1A1GAAHTTBAZ2BHSD17B10
SCHEMBL502612 0.72 BAZ2B (0.40) ALDH1A1GAAHTTBAZ2BNPSR1
SCHEMBL2762808 0.71 RPS6KB2 (0.47) ALDH1A1GAAHTTBAZ2BHSD17B10
SCHEMBL10313033 0.71 BAZ2B (0.42) ALDH1A1GAAHTTBAZ2BNPSR1
SCHEMBL14207865 0.71 CHEK1 (0.45) ALDH1A1GAAHTTBAZ2BHSD17B10
SCHEMBL6370890 0.71 BAZ2B (0.42) ALDH1A1GAAHTTBAZ2BNPSR1

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-1484809-A1 REDOX ACTIVE REVERSIBLE ELECTRODE AND NOVEL CELL USING IT Oyama, Noboru (JP) 2004-12-08 EP claimed