SCHEMBL13070487

SCHEMBL13070487

CC[C@@H](NC(C)C)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.46
EPHX1 P07099 2/20 0.36
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
EPHX2 P34913 2/20 0.31
HTT P42858 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
SCHEMBL19299744 0.98 SHBG (0.50) SHBGEPHX1EPHX2
SCHEMBL23902245 0.95 SHBG (0.41) SHBGEPHX1TDP1
SCHEMBL13464009 0.81 SHBG (0.43) SHBGEPHX1EPHX2
SCHEMBL13996012 0.81 SHBG (0.36) SHBGEPHX1TDP1HTT
SCHEMBL170904 0.80 SHBG (0.50) SHBGEPHX1KDM4E
SCHEMBL1870619 0.80 SHBG (0.50) SHBGEPHX1KDM4E
SCHEMBL13995986 0.79 SHBG (0.39) SHBGEPHX1HTT
SCHEMBL13995983 0.79 SHBG (0.39) SHBGEPHX1HTT
SCHEMBL27394167 0.79 SHBG (0.34) SHBGEPHX1TDP1
SCHEMBL1864078 0.78 SHBG (0.54) SHBGEPHX1KDM4EEPHX2

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
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed