SCHEMBL10198729

SCHEMBL10198729

CC(C)[C@H](O)[C@H](O)[C@@H](CO)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL24920002 0.80
SCHEMBL18541728 0.73 SHBG (0.39) SHBG
SCHEMBL17219541 0.71 SHBG (0.35) SHBGTDP1
SCHEMBL17834060 0.70 SHBG (0.52) SHBG
SCHEMBL4993233 0.70 SHBG (0.52) SHBG
SCHEMBL890311 0.70 SHBG (0.31) SHBG
SCHEMBL31336308 0.68 SHBG (0.61) SHBG
SCHEMBL17854865 0.67 SHBG (0.39) SHBG
SCHEMBL21785851 0.67 PIK3CD (0.35) SHBG
SCHEMBL240851 0.65 ALDH1A1 (0.36) SHBGTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011044538-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-01-05 WO disclosed
WO-2011044538-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed